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1C8I
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BU of 1c8i by Molmil
BINDING MODE OF HYDROXYLAMINE TO ARTHROMYCES RAMOSUS PEROXIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROXYAMINE, ...
Authors:Wariishi, H, Nonaka, D, Johjima, T, Nakamura, N, Naruta, Y, Kubo, K, Fukuyama, K.
Deposit date:2000-05-08
Release date:2001-01-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Direct binding of hydroxylamine to the heme iron of Arthromyces ramosus peroxidase. Substrate analogue that inhibits compound I formation in a competetive manner.
J.Biol.Chem., 275, 2000
4XBV
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BU of 4xbv by Molmil
R2-like ligand-binding oxidase with anaerobically reconstituted diiron cofactor
Descriptor: FE (II) ION, PALMITIC ACID, Ribonuleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2014-12-17
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor.
J.Biol.Chem., 290, 2015
1QUJ
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BU of 1quj by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY GLY COMPLEX WITH CHLORINE AND PHOSPHATE
Descriptor: CHLORIDE ION, PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A.
Deposit date:1995-11-11
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor.
Biochemistry, 35, 1996
1QUK
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BU of 1quk by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY ASN COMPLEX WITH PHOSPHATE
Descriptor: PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A.
Deposit date:1995-11-11
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor.
Biochemistry, 35, 1996
1QUL
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BU of 1qul by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY THR COMPLEX WITH CHLORINE AND PHOSPHATE
Descriptor: CHLORIDE ION, PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A.
Deposit date:1995-11-11
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor.
Biochemistry, 35, 1996
1GNU
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BU of 1gnu by Molmil
GABA(A) receptor associated protein GABARAP
Descriptor: GABARAP, NICKEL (II) ION
Authors:Knight, D, Harris, R, Moss, S, Driscoll, P.C, Keep, N.H.
Deposit date:2001-10-09
Release date:2001-12-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-Ray Crystal Structure and Putative Ligand-Derived Peptide Binding Properties of Gamma-Aminobutyric Acid Receptor Type a Receptor-Associated Protein
J.Biol.Chem., 277, 2002
4LAD
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BU of 4lad by Molmil
Crystal Structure of the Ube2g2:RING-G2BR complex
Descriptor: E3 ubiquitin-protein ligase AMFR, OXALATE ION, Ubiquitin-conjugating enzyme E2 G2, ...
Authors:Liang, Y.-H, Li, J, Das, R, Byrd, R.A, Ji, X.
Deposit date:2013-06-19
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
7AT9
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BU of 7at9 by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine
Descriptor: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ...
Authors:Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
Deposit date:2020-10-29
Release date:2021-08-04
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
6USU
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BU of 6usu by Molmil
Crystal structure of GluN1/GluN2A ligand-binding domain in complex with L689,560 and glutamate
Descriptor: (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, GLUTAMIC ACID, Glutamate receptor ionotropic, ...
Authors:Romero-Hernandez, A, Tajima, N, Chou, T, Furukawa, H.
Deposit date:2019-10-28
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
8C87
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BU of 8c87 by Molmil
Double mutant A(L172)C/L(L246)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, BACTERIOCHLOROPHYLL A, ...
Authors:Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Yukhimchuk, D.
Deposit date:2023-01-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds.
Membranes (Basel), 13, 2023
6I5C
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BU of 6i5c by Molmil
Long wavelength native-SAD phasing of Tubulin-Stathmin-TTL complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M.
Deposit date:2018-11-13
Release date:2019-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
5CQZ
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BU of 5cqz by Molmil
Human cytosolic 5'-nucleotidase II in complex with 3-(3-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide
Descriptor: 1-(biphenyl-3-yl)-1H-imidazole, Cytosolic purine 5'-nucleotidase, GLYCEROL, ...
Authors:Preeti, P, Aghajari, N.
Deposit date:2015-07-22
Release date:2015-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Noncompetitive Inhibitors of Cytosolic 5'-Nucleotidase II Using a Fragment-Based Approach.
J.Med.Chem., 58, 2015
1EOB
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BU of 1eob by Molmil
CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE IN COMPLEX WITH 3,4-DIHYDROXYBENZOATE
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
Authors:Vetting, M.W, D'Argenio, D.A, Ornston, L.N, Ohlendorf, D.H.
Deposit date:2000-03-22
Release date:2000-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Acinetobacter strain ADP1 protocatechuate 3, 4-dioxygenase at 2.2 A resolution: implications for the mechanism of an intradiol dioxygenase.
Biochemistry, 39, 2000
7ZZR
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BU of 7zzr by Molmil
HDAC2 in complex with inhibitory ligand
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ...
Authors:Cleasby, A, Tisi, D.
Deposit date:2022-05-26
Release date:2022-09-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.168 Å)
Cite:Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
3B65
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BU of 3b65 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
Descriptor: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B67
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BU of 3b67 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23
Descriptor: (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
1KT3
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BU of 1kt3 by Molmil
Crystal structure of bovine holo-RBP at pH 2.0
Descriptor: Plasma retinol-binding protein, RETINOL
Authors:Calderone, V, Berni, R, Zanotti, G.
Deposit date:2002-01-15
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1EO9
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BU of 1eo9 by Molmil
CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE AT PH < 7.0
Descriptor: FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, PROTOCATECHUATE 3,4-DIOXYGENASE BETA CHAIN;, ...
Authors:Vetting, M.W, D'Argenio, D.A, Ornston, L.N, Ohlendorf, D.H.
Deposit date:2000-03-22
Release date:2000-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Acinetobacter strain ADP1 protocatechuate 3, 4-dioxygenase at 2.2 A resolution: implications for the mechanism of an intradiol dioxygenase.
Biochemistry, 39, 2000
1KT7
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BU of 1kt7 by Molmil
Crystal structure of bovine holo-RBP at pH 7.0
Descriptor: Plasma retinol-binding protein, RETINOL
Authors:Calderone, V, Berni, R, Zanotti, G.
Deposit date:2002-01-15
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.274 Å)
Cite:High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
5AJU
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BU of 5aju by Molmil
Crystal structure of ligand-free phosphoribohydroxylase lonely guy from Claviceps purpurea in complex with phosphoribose
Descriptor: 5-O-phosphono-beta-D-ribofuranose, PHOSPHORIBOHYDROLASE LONELY GUY, SULFATE ION
Authors:Dzurova, L, Savino, S, Forneris, F.
Deposit date:2015-02-27
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Three-Dimensional Structure of "Lonely Guy" from Claviceps Purpurea Provides Insights Into the Phosphoribohydrolase Function of Rossmann Fold-Containing Lysine Decarboxylase-Like Proteins.
Proteins, 83, 2015
7BAJ
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BU of 7baj by Molmil
Crystal structure of ligand-free SARS-CoV-2 main protease
Descriptor: Main Protease
Authors:Amporndanai, K, O'Neill, P.M, Hasnain, S.S.
Deposit date:2020-12-15
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Nat Commun, 12, 2021
6KIE
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BU of 6kie by Molmil
Crystal structure of human leucyl-tRNA synthetase, Leu-AMS-bound form
Descriptor: 5'-O-(L-leucylsulfamoyl)adenosine, LEUCINE, Leucine--tRNA ligase, ...
Authors:Kim, S, Son, J, Kim, S, Hwang, K.Y.
Deposit date:2019-07-18
Release date:2021-01-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Leucine-sensing mechanism of leucyl-tRNA synthetase 1 for mTORC1 activation.
Cell Rep, 35, 2021
4I4T
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BU of 4i4t by Molmil
Crystal structure of tubulin-RB3-TTL-Zampanolide complex
Descriptor: (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E, Steinmetz, M.O.
Deposit date:2012-11-28
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents.
Science, 339, 2013
6QK2
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BU of 6qk2 by Molmil
R2-like ligand-binding oxidase Y715F mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2019-01-28
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein.
J.Am.Chem.Soc., 142, 2020
6QK0
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BU of 6qk0 by Molmil
R2-like ligand-binding oxidase E69D mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2019-01-28
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein.
J.Am.Chem.Soc., 142, 2020

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