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1GSH
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BU of 1gsh by Molmil
STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 7.5
Descriptor: GLUTATHIONE BIOSYNTHETIC LIGASE
Authors:Matsuda, K, Kato, H, Yamaguchi, H, Nishioka, T, Katsube, Y, Oda, J.
Deposit date:1995-05-16
Release date:1996-07-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins.
Protein Eng., 9, 1996
4RUG
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BU of 4rug by Molmil
Cyrstal structure of SLIT-ROBO Rho GTPase-activating protein 2 fragment
Descriptor: SLIT-ROBO Rho GTPase-activating protein 2
Authors:Opatowsky, Y, Guez-Hadad, J.
Deposit date:2014-11-19
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The Neuronal Migration Factor srGAP2 Achieves Specificity in Ligand Binding through a Two-Component Molecular Mechanism.
Structure, 23, 2015
7ZYT
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BU of 7zyt by Molmil
Crystal structure of the I318T pathogenic variant of the human dihydrolipoamide dehydrogenase
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ...
Authors:Nemes-Nikodem, E, Szabo, E, Vass, K.R, Lennartz, F, Nagy, B, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2022-05-25
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase.
Int J Mol Sci, 24, 2023
8IQN
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BU of 8iqn by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3
Descriptor: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor
Authors:Kakuda, S.
Deposit date:2023-03-17
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3
To Be Published
6WCF
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BU of 6wcf by Molmil
Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3
Authors:Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-30
Release date:2020-04-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.065 Å)
Cite:Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
6WEJ
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BU of 6wej by Molmil
Structure of cGMP-unbound WT TAX-4 reconstituted in lipid nanodiscs
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ...
Authors:Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J.
Deposit date:2020-04-02
Release date:2020-06-03
Last modified:2020-07-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
8IQT
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BU of 8iqt by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with (23R)-F-25(OH)D3
Descriptor: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},4~{R})-4-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor
Authors:Kakuda, S.
Deposit date:2023-03-17
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:Crystal structure of the human vitamin D receptor ligand binding domain complexed with (23R)-F-25(OH)D3
To Be Published
3LE8
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BU of 3le8 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, ...
Authors:Silvestre, H.L, Hung, A.W, Sledz, P, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2010-01-14
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase.
J.Am.Chem.Soc., 132, 2010
7TTV
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BU of 7ttv by Molmil
E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid
Descriptor: 4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-02-02
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes.
Sci Rep, 12, 2022
8GCK
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BU of 8gck by Molmil
Crystal structure of the human CHIP-TPR domain in complex with a 6mer acetylated tau peptide
Descriptor: ACE-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP
Authors:Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S.
Deposit date:2023-03-02
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.36823535 Å)
Cite:Intersecting PTMs regulate clearance of pathogenic tau by the ubiquitin ligase CHIP.
To Be Published
1C61
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BU of 1c61 by Molmil
T4 LYSOZYME MUTANT C54T/C97A/F153A IN THE PRESENCE OF 8 ATM KRYPTON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, KRYPTON, ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C60
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BU of 1c60 by Molmil
T4 LYSOZYME MUTANT C54T/C97A/F153A IN THE PRESENCE OF 8 ATM ARGON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, PROTEIN (LYSOZYME)
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C62
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BU of 1c62 by Molmil
T4 LYSOZYME MUTANT C54T/C97A/F153A IN THE PRESENCE OF 8 ATM XENON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, PROTEIN (LYSOZYME), ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C65
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BU of 1c65 by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L121A IN THE PRESENCE OF 8 ATM XENON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, PROTEIN (LYSOZYME), ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C67
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BU of 1c67 by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L121A/L133A IN THE PRESENCE OF 8 ATM KRYPTON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, KRYPTON, ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C64
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BU of 1c64 by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L121A IN THE PRESENCE OF 8 ATM KRYPTON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, KRYPTON, ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
8DYC
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BU of 8dyc by Molmil
Human CYP3A4 bound to a substrate
Descriptor: 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Cytochrome P450 3A4, GLYCEROL, ...
Authors:Sevrioukova, I.F.
Deposit date:2022-08-04
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site.
Int J Mol Sci, 23, 2022
1C6I
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BU of 1c6i by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L99A IN THE PRESENCE OF 8 ATM ARGON
Descriptor: ARGON, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C6T
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BU of 1c6t by Molmil
T4 LYSOZYME MUTANT C54T/C97A IN THE PRESENCE OF 8 ATM XENON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, PROTEIN (LYSOZYME), ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C6J
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BU of 1c6j by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L99A IN THE PRESENCE OF 8 ATM KRYPTON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, KRYPTON, ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C6M
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BU of 1c6m by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L99A/F153A IN THE PRESENCE OF 8 ATM KRYPTON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, KRYPTON, ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C6K
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BU of 1c6k by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L99A IN THE PRESENCE OF 8 ATM XENON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, PROTEIN (LYSOZYME), ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
6KRG
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BU of 6krg by Molmil
Crystal structure of sfGFP Y182TMSiPhe
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2019-08-21
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
1C6L
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BU of 1c6l by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L99A/F153A IN THE PRESENCE OF 8 ATM ARGON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, PROTEIN (LYSOZYME)
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
1C6N
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BU of 1c6n by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L99A/F153A IN THE PRESENCE OF 8 ATM XENON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, PROTEIN (LYSOZYME), ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000

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