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PDB: 42745 results

2NW9
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Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast Structural Genomics Target XcR13
Descriptor: 6-FLUORO-L-TRYPTOPHAN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-11-14
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7LR3
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Complex of Fab 2/6.14 with domain 3 of P. berghei HAP2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D3_2/6.14 Fab heavy chain, D3_2/6.14 Fab light chain, ...
Authors:Feng, J, Dong, X.C, Lu, C.F, Springer, T.A.
Deposit date:2021-02-15
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of malaria transmission blockade by a monoclonal antibody to gamete fusogen HAP2.
Elife, 10, 2021
7LR4
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Complex of Fab 2/1.12 with domain 3 of P. berghei HAP2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, D3_2/1.12 Fab heavy chain, D3_2/1.12 Fab light chain, ...
Authors:Feng, J, Dong, X.C, Su, Y, Lu, X.F, Springer, T.A.
Deposit date:2021-02-15
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of malaria transmission blockade by a monoclonal antibody to gamete fusogen HAP2.
Elife, 10, 2021
5D4L
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BU of 5d4l by Molmil
Structure of the apo form of CPII from Thiomonas intermedia K12, a nitrogen regulatory PII-like protein
Descriptor: Nitrogen regulatory protein P-II
Authors:Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O.
Deposit date:2015-08-08
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein.
J.Mol.Biol., 428, 2016
7LKY
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Crystal Structure of PHF1 Tudor domain in complex with a peptidomimetic ligand UNC6641
Descriptor: DIMETHYL SULFOXIDE, Isoform 1 of PHD finger protein 1, Peptidomimetic inhibitor UNC6641, ...
Authors:Liu, J, Kutateladze, T.G.
Deposit date:2021-02-03
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of an H3K36me3-Derived Peptidomimetic Ligand with Enhanced Affinity for Plant Homeodomain Finger Protein 1 (PHF1).
J.Med.Chem., 64, 2021
7L8K
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BU of 7l8k by Molmil
Crystal structure of human GPX4-U46C
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
Authors:Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R.
Deposit date:2020-12-31
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
7L8Q
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Crystal structure of human GPX4-U46C with oxidized Cys-46
Descriptor: ACETATE ION, Phospholipid hydroperoxide glutathione peroxidase
Authors:Forouhar, F, Liu, H, Seibt, T, Saneto, R, Wigby, K, Friedman, J, Xia, X, Shchepinov, M.S, Ramesh, S, Conrad, M, Stockwell, B.R.
Deposit date:2020-12-31
Release date:2021-12-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Patient-derived variant of GPX4 reveals the structural basis for its catalytic activity and degradation mechanism
Nat.Chem.Biol., 2021
4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
5D5V
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BU of 5d5v by Molmil
Crystal structure of human Hsf1 with Satellite III repeat DNA
Descriptor: DNA, Heat shock factor protein 1, MAGNESIUM ION
Authors:Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A.
Deposit date:2015-08-11
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
5DHT
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BU of 5dht by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
Descriptor: 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ...
Authors:Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
Deposit date:2015-08-31
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
4RVP
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BU of 4rvp by Molmil
Crystal structure of superoxide dismutase from sedum alfredii
Descriptor: ZINC ION, superoxide dismutase
Authors:Qiu, R, Li, C, Zhai, J, Tang, L, Zhang, H, Yuan, M, Hu, X.
Deposit date:2014-11-27
Release date:2015-12-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The positive effects of Cd and Cd-Zn relationship in the Zn-related physiological processes involved in growth in the Zn/Cd hyperaccumulator Sedum alfredii
To be Published
5DAB
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BU of 5dab by Molmil
Crystal structure of FTO-IN115
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, CHLORIDE ION, ...
Authors:Chai, J, Zhou, B, Liu, W, Han, Z, Niu, T.
Deposit date:2015-08-19
Release date:2016-08-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of FTO-IN115
To Be Published
2IYI
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BU of 2iyi by Molmil
structure of a light-induced intermediate of the BLUF domain of the rhodobacterial protein AppA
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, APPA, ...
Authors:Jung, A, Reinstein, J, Domratcheva, T, Shoeman, R.-L, Schlichting, I.
Deposit date:2006-07-17
Release date:2006-09-06
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structures of the AppA BLUF domain photoreceptor provide insights into blue light-mediated signal transduction.
J. Mol. Biol., 362, 2006
4ACI
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BU of 4aci by Molmil
Structure of the C. glutamicum AcnR Crystal Form II
Descriptor: CITRIC ACID, GLYCEROL, HTH-TYPE TRANSCRIPTIONAL REPRESSOR ACNR, ...
Authors:Garcia-Nafria, J, Baumgart, M, Turkenburg, J.P, Wilkinson, A.J, Bott, M, Wilson, K.S.
Deposit date:2011-12-15
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal and Solution Studies Reveal that the Transcriptional Regulator Acnr of Corynebacterium Glutamicum is Regulated by Citrate:Mg2+ Binding to a Non-Canonical Pocket.
J.Biol.Chem., 288, 2013
7MDZ
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BU of 7mdz by Molmil
80S rabbit ribosome stalled with benzamide-CHX
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S21, ...
Authors:Koga, Y, Hoang, E.M, Park, Y, Keszei, A.F.A, Murray, J, Shao, S, Liau, B.B.
Deposit date:2021-04-06
Release date:2021-09-01
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Discovery of C13-Aminobenzoyl Cycloheximide Derivatives that Potently Inhibit Translation Elongation.
J.Am.Chem.Soc., 143, 2021
2O0L
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BU of 2o0l by Molmil
Human spermidine synthase
Descriptor: 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-11-27
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure and mechanism of spermidine synthases.
Biochemistry, 46, 2007
7MGU
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BU of 7mgu by Molmil
Improved ligand discovery using micro-beam data collection at the edge of protein crystals
Descriptor: 1,2-ETHANEDIOL, ARGININE, Endo-1,4-beta-xylanase, ...
Authors:Soares, A.S, Jakoncic, J.
Deposit date:2021-04-13
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Improved ligand discovery using micro-beam data collection at the edge of protein crystals
To Be Published
5CR9
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BU of 5cr9 by Molmil
Crystal structure of ABC-type Fe3+-hydroxamate transport system from Saccharomonospora viridis DSM 43017
Descriptor: ABC-type Fe3+-hydroxamate transport system, periplasmic component, GLUTAMIC ACID, ...
Authors:Nocek, B, Cuff, M, Mack, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-07-22
Release date:2015-08-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of ABC-type Fe3+-hydroxamate transport system from Saccharomonospora viridis DSM 43017
To Be Published
4S0X
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BU of 4s0x by Molmil
Structure of three phase partition - treated lipase from Thermomyces lanuginosa in complex with lauric acid at 2.1 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, ...
Authors:Kumar, M, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-01-07
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of three phase partition - treated lipase from Thermomyces lanuginosa in complex with lauric acid at 2.1 A resolution
To be Published
2J90
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BU of 2j90 by Molmil
Crystal structure of human ZIP kinase in complex with a tetracyclic pyridone inhibitor (Pyridone 6)
Descriptor: 1,2-ETHANEDIOL, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, CHLORIDE ION, ...
Authors:Turnbull, A.P, Berridge, G, Fedorov, O, Pike, A.C.W, Savitsky, P, Eswaran, J, Papagrigoriou, E, Ugochukwa, E, von Delft, F, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
Deposit date:2006-10-31
Release date:2006-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
1YGC
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BU of 1ygc by Molmil
Short Factor VIIa with a small molecule inhibitor
Descriptor: (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ...
Authors:Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D.
Deposit date:2005-01-04
Release date:2005-01-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.
J.Biol.Chem., 280, 2005
5D5X
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BU of 5d5x by Molmil
Crystal structure of Chaetomium thermophilum Skn7 with SSRE DNA
Descriptor: Putative transcription factor, SSRE DNA strand 1, SSRE DNA strand 2
Authors:Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A.
Deposit date:2015-08-11
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
3TQN
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BU of 3tqn by Molmil
Structure of the transcriptional regulator of the GntR family, from Coxiella burnetii.
Descriptor: Transcriptional regulator, GntR family
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
7MRW
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BU of 7mrw by Molmil
Native RhopH complex of the malaria parasite Plasmodium falciparum
Descriptor: Cytoadherence linked asexual protein 3.1, High molecular weight rhoptry protein 2, High molecular weight rhoptry protein 3
Authors:Ho, C.M, Jih, J, Lai, M, Li, X.R, Goldberg, D.E, Beck, J.R, Zhou, Z.H.
Deposit date:2021-05-10
Release date:2021-09-15
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Native structure of the RhopH complex, a key determinant of malaria parasite nutrient acquisition.
Proc.Natl.Acad.Sci.USA, 118, 2021
3TQZ
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BU of 3tqz by Molmil
Structure of a deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) from Coxiella burnetii
Descriptor: Deoxyuridine 5'-triphosphate nucleotidohydrolase, SULFATE ION
Authors:Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015

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