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3SJX
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BU of 3sjx by Molmil
X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-methionine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
登録日2011-06-22
公開日2011-10-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
8QFG
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Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC after 5 seconds of blue light illumination
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFE
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BU of 8qfe by Molmil
Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC
分子名称: FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, MAGNESIUM ION
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFF
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Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-11
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFH
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BU of 8qfh by Molmil
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFJ
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BU of 8qfj by Molmil
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 2.3 us delay
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
8QFI
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BU of 8qfi by Molmil
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 1.8 us delay
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ...
著者Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Sato, T, Round, A, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R.
登録日2023-09-04
公開日2023-11-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
5JB8
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BU of 5jb8 by Molmil
Crystal structure of factor IXa variant K98T in complex with EGR-chloromethylketone
分子名称: CALCIUM ION, Coagulation factor IX, DIMETHYL SULFOXIDE, ...
著者Kristensen, L.H, Brandstetter, H.
登録日2016-04-13
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016
6WQA
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BU of 6wqa by Molmil
2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W.
登録日2020-04-28
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase
Iucrj, 7, 2020
8PUI
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BU of 8pui by Molmil
human PHOX2B C-terminal domain including the polyA fragment at 298K
分子名称: Paired mesoderm homeobox protein 2B
著者Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
登録日2023-07-17
公開日2024-03-13
実験手法SOLUTION NMR
主引用文献Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
8PTL
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BU of 8ptl by Molmil
human PHOX2B C-terminal domain including the polyA fragment at 278K
分子名称: Paired mesoderm homeobox protein 2B
著者Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J.
登録日2023-07-14
公開日2024-03-13
実験手法SOLUTION NMR
主引用文献Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions.
Nat Commun, 15, 2024
3B81
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BU of 3b81 by Molmil
Crystal structure of predicted DNA-binding transcriptional regulator of TetR/AcrR family (NP_350189.1) from Clostridium acetobutylicum at 2.10 A resolution
分子名称: 1,2-ETHANEDIOL, SODIUM ION, Transcriptional regulator, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-10-31
公開日2007-11-20
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of predicted DNA-binding transcriptional regulator of TetR/AcrR family (NP_350189.1) from Clostridium acetobutylicum at 2.10 A resolution
To be published
3RWB
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BU of 3rwb by Molmil
Crystal structure of complex of 4PAL (4-Pyridoxolactone) and PLDH (tetrameric pyridoxal 4-dehydrogenase) from Mesorhizobium loti
分子名称: 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Chu, H.N.
登録日2011-05-08
公開日2012-05-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Crystal structure of complex of 4PAL (4-Pyridoxolactone) and PLDH (tetrameric pyridoxal 4-dehydrogenase) from Mesorhizobium loti
TO BE PUBLISHED
6YRO
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BU of 6yro by Molmil
Streptococcus suis SadP mutant - N285D
分子名称: GLYCEROL, SODIUM ION, SadP
著者Papageorgiou, A.C, Haataja, S.
登録日2020-04-20
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease.
J.Biol.Chem., 295, 2020
6YSA
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BU of 6ysa by Molmil
Crystal structure of Arabidopsis thaliana legumain isoform beta in zymogen state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SULFATE ION, ...
著者Dall, E, Zauner, F.B, Brandstetter, H.
登録日2020-04-21
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural and functional studies ofArabidopsis thalianalegumain beta reveal isoform specific mechanisms of activation and substrate recognition.
J.Biol.Chem., 295, 2020
7O1U
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BU of 7o1u by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 1 (BEV241)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
8CRG
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BU of 8crg by Molmil
E. coli adenylate kinase in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Oelker, M, Tischlik, S, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2023-03-08
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Insights into Enzymatic Catalysis from Binding and Hydrolysis of Diadenosine Tetraphosphate by E. coli Adenylate Kinase.
Biochemistry, 62, 2023
7O22
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BU of 7o22 by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 4 (mi359)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O1Y
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BU of 7o1y by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 0.25 M NaCl
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
6YIL
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BU of 6yil by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
分子名称: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
著者Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
登録日2020-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
7O1W
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BU of 7o1w by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 1 M NaCl
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O20
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BU of 7o20 by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3 (mi300)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
4CVG
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BU of 4cvg by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain (H4B-free) supplemented with 50uM Zn acetate and with poor binding of 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one.
分子名称: ACETATE ION, ARGININE, GLYCEROL, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2014-03-25
公開日2014-05-28
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
5LU9
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BU of 5lu9 by Molmil
Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5JBC
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BU of 5jbc by Molmil
Crystal structure of factor IXa variant V16I K98T Y177T I213V in complex with PPACK
分子名称: CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
著者Kristensen, L.H, Brandstetter, H.
登録日2016-04-13
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016

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