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PDB: 34568 results

6ZAN
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BU of 6zan by Molmil
Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV.
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
8DYR
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BU of 8dyr by Molmil
BRD4-D1 in complex with BET inhibitor
Descriptor: (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W.
Deposit date:2022-08-04
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
6ZAH
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BU of 6zah by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 800ms.
Descriptor: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
4KH0
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BU of 4kh0 by Molmil
The R state structure of E. coli ATCase with ATP and Magnesium bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, ...
Authors:Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R.
Deposit date:2013-04-29
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 52, 2013
6ZAE
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BU of 6zae by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV under anaerobic conditions.
Descriptor: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
2P2K
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BU of 2p2k by Molmil
Crystal structure of a lectin from Canavalia gladiata seeds (CGL) in complex with man1-4man-OMe
Descriptor: CALCIUM ION, Canavalia gladiata lectin, MANGANESE (II) ION, ...
Authors:Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, G.B, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F.
Deposit date:2007-03-07
Release date:2007-10-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
6ZAO
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BU of 6zao by Molmil
Isopenicillin N synthase structure in complex with Fe and IPN exposed to dioxygen.
Descriptor: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAI
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BU of 6zai by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 1600ms.
Descriptor: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5501 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAQ
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BU of 6zaq by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure
Descriptor: FE (II) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
1TIP
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BU of 1tip by Molmil
THE BISPHOSPHATASE DOMAIN OF THE BIFUNCTIONAL RAT LIVER 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE
Descriptor: 6-O-phosphono-beta-D-fructofuranose, PHOSPHOENZYME INTERMEDIATE OF FRU-2,6-BISPHOSPHATASE
Authors:Lee, Y.-H, Olson, T.W, Ogata, C.M, Levitt, D.G, Banaszak, L.J, Lange, A.J.
Deposit date:1997-05-28
Release date:1998-01-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a trapped phosphoenzyme during a catalytic reaction.
Nat.Struct.Biol., 4, 1997
6ZAL
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BU of 6zal by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms without glycerol.
Descriptor: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAP
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BU of 6zap by Molmil
Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions.
Descriptor: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAF
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BU of 6zaf by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 400ms.
Descriptor: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4001 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
4RKJ
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BU of 4rkj by Molmil
Crystal structure of thrombin mutant S195T (free form)
Descriptor: GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ...
Authors:Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
Deposit date:2014-10-13
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
6ZAJ
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BU of 6zaj by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms.
Descriptor: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5301 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6Z2S
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BU of 6z2s by Molmil
Crystal structure of adhibin analogue-bound myosin-2
Descriptor: 3,6-dibromo-1-(hydroxymethyl)carbazole, ACETATE ION, ADP METAVANADATE, ...
Authors:Ewert, W, Knoelker, H.-J, Tsiavaliaris, G, Preller, M.
Deposit date:2020-05-18
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The synthetic carbazole adhibin acts as selective myosin class-IX inhibitor in lung cancer cells
To Be Published
6ZAM
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BU of 6zam by Molmil
Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions.
Descriptor: 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-06-05
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6G5S
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BU of 6g5s by Molmil
Solution structure of the TPR domain of the cell division coordinator, CpoB
Descriptor: Cell division coordinator CpoB
Authors:Simorre, J.P, Maya Martinez, R.C, Bougault, C, Vollmer, W, Egan, A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Induced conformational changes activate the peptidoglycan synthase PBP1B.
Mol. Microbiol., 110, 2018
8IX0
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BU of 8ix0 by Molmil
Cryo-EM structure of unprotonated LHCII nanodisc at high pH value
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Ruan, M.X, Ding, W.
Deposit date:2023-03-31
Release date:2023-09-06
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
8IX2
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BU of 8ix2 by Molmil
Cryo-EM structure of unprotonated LHCII nanodisc at low pH value
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Ruan, M.X, Ding, W.
Deposit date:2023-03-31
Release date:2023-09-06
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation.
Nat.Plants, 9, 2023
8JIL
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BU of 8jil by Molmil
Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H.
Deposit date:2023-05-26
Release date:2023-09-06
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
5WSA
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BU of 5wsa by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
6G2R
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BU of 6g2r by Molmil
Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ...
Authors:Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B.
Deposit date:2018-03-23
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
4KRZ
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BU of 4krz by Molmil
Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi
Descriptor: GLYCEROL, POTASSIUM ION, Pyruvate kinase
Authors:Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2013-05-17
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
4QGM
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BU of 4qgm by Molmil
Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center
Descriptor: Acireductone dioxygenase, CADMIUM ION
Authors:Milaczewska, A.M, Chruszcz, M, Shabalin, I.G, Cooper, D.R, Borowski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-05-23
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center
To be Published

224004

PDB entries from 2024-08-21

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