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3AJE
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BU of 3aje by Molmil
Crystal structure of S. tokodaii Sua5 complexed with L-threonine and AMPPNP
Descriptor: NITRATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Putative uncharacterized protein ST1526, ...
Authors:Kuratani, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-06-01
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Sulfolobus tokodaii Sua5 complexed with L-threonine and AMPPNP
Proteins, 79, 2011
4QFS
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BU of 4qfs by Molmil
Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor
Descriptor: 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Calabrese, M.F, Kurumbail, R.G.
Deposit date:2014-05-21
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms.
Structure, 22, 2014
2GU7
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BU of 2gu7 by Molmil
E. coli methionine aminopeptidase unliganded, 1:0.5
Descriptor: MANGANESE (II) ION, Methionine aminopeptidase, SODIUM ION
Authors:Ye, Q.Z.
Deposit date:2006-04-28
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of catalysis by monometalated methionine aminopeptidase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1YA3
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BU of 1ya3 by Molmil
Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to progesterone and harboring the S810L mutation responsible for a severe form of hypertension
Descriptor: Mineralocorticoid receptor, PROGESTERONE
Authors:Fagart, J, Huyet, J, Pinon, G.M, Rochel, M, Mayer, C, Rafestin-Oblin, M.E.
Deposit date:2004-12-17
Release date:2005-05-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of a mutant mineralocorticoid receptor responsible for hypertension
Nat.Struct.Mol.Biol., 12, 2005
1IAE
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BU of 1iae by Molmil
CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY
Descriptor: ASTACIN, NICKEL (II) ION
Authors:Grams, F, Stoecker, W, Bode, W.
Deposit date:1994-05-09
Release date:1994-08-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
J.Biol.Chem., 269, 1994
1IAB
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BU of 1iab by Molmil
CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY
Descriptor: ASTACIN, COBALT (II) ION
Authors:Gomis-Rueth, F.-X, Stoecker, W, Bode, W.
Deposit date:1994-05-09
Release date:1994-08-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
J.Biol.Chem., 269, 1994
1IAA
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BU of 1iaa by Molmil
CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY
Descriptor: ASTACIN, COPPER (II) ION
Authors:Gomis-Rueth, F.-X, Stoecker, W, Bode, W.
Deposit date:1994-05-09
Release date:1994-08-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity.
J.Biol.Chem., 269, 1994
1SY0
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BU of 1sy0 by Molmil
1.15 A Crystal Structure of T121V Mutant of Nitrophorin 4 from Rhodnius Prolixus
Descriptor: AMMONIUM ION, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Maes, E.M, Weichsel, A, Andersen, J.F, Shepley, D, Montfort, W.R.
Deposit date:2004-03-31
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Role of binding site loops in controlling nitric oxide release: structure and kinetics of mutant forms of nitrophorin 4
Biochemistry, 43, 2004
1ELJ
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BU of 1elj by Molmil
THE CRYSTAL STRUCTURE OF LIGANDED MALTODEXTRIN-BINDING PROTEIN FROM PYROCOCCUS FURIOSUS
Descriptor: MALTODEXTRIN-BINDING PROTEIN, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Evdokimov, A.G, Anderson, E.D, Routzahn, K.M, Waugh, D.S.
Deposit date:2000-03-13
Release date:2001-01-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for oligosaccharide recognition by Pyrococcus furiosus maltodextrin-binding protein.
J.Mol.Biol., 305, 2001
4N0R
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BU of 4n0r by Molmil
Crystal structure of a putative glycoside hydrolase (BVU_0362) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution
Descriptor: GLYCEROL, NICKEL (II) ION, UNKNOWN LIGAND, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-10-02
Release date:2013-10-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a putative glycoside hydrolase (BVU_0362) from Bacteroides vulgatus ATCC 8482 at 1.80 A resolution
To be published
3OBR
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BU of 3obr by Molmil
Crystal structure of Botulinum neurotoxin serotype D binding domain
Descriptor: Botulinum neurotoxin type D, GLYCEROL
Authors:Zong, Y, Lee, K.K, Jin, R.
Deposit date:2010-08-09
Release date:2010-09-08
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Botulinum neurotoxin serotype D attacks neurons via two carbohydrate-binding sites in a ganglioside-dependent manner.
Biochem.J., 431, 2010
3FGD
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BU of 3fgd by Molmil
Drugscore FP: Thermoylsin in complex with fragment.
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2008-12-05
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Drugscore FP: Profiling Protein-Ligand Interactions using Fingerprint Simplicity paired with Knowledge-Based Potential Fields
To be Published
4IS5
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BU of 4is5 by Molmil
Crystal Structure of the ligand-free inactive Matriptase
Descriptor: GLUTATHIONE, GLYCEROL, SULFATE ION, ...
Authors:Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
Deposit date:2013-01-16
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
5SUO
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BU of 5suo by Molmil
Crystal structure of N-glycan transport solute binding protein (NgtS) from Streptococcus pneumoniae
Descriptor: Extracellular solute-binding protein, IODIDE ION
Authors:Robb, M, Boraston, A.B.
Deposit date:2016-08-03
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Characterization of N-glycan Degradation and Transport in Streptococcus pneumoniae and Its Contribution to Virulence.
PLoS Pathog., 13, 2017
5A1N
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BU of 5a1n by Molmil
The crystal structure of the GST-like domains complex of EPRS-AIMP2 mutant S156D
Descriptor: AMINOACYL TRNA SYNTHASE COMPLEX-INTERACTING MULTIFUNCTIONAL PROTEIN 2, BIFUNCTIONAL GLUTAMATE/PROLINE--TRNA LIGASE, GLYCEROL
Authors:Cho, H.Y, Choi, Y.S, Kang, B.S.
Deposit date:2015-05-03
Release date:2016-06-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Symmetric Assembly of a Decameric Subcomplex in Human Multi-tRNA Synthetase Complex Via Interactions between Glutathione Transferase-Homology Domains and Aspartyl-tRNA Synthetase.
J.Mol.Biol., 2019
5X8M
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BU of 5x8m by Molmil
PD-L1 in complex with durvalumab
Descriptor: Programmed cell death 1 ligand 1, durvalumab heavy chain, durvalumab light chain
Authors:Heo, Y.S, Lee, H.T.
Deposit date:2017-03-03
Release date:2017-08-16
Method:X-RAY DIFFRACTION (2.661 Å)
Cite:Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab
Sci Rep, 7, 2017
5AVE
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BU of 5ave by Molmil
The ligand binding domain of Mlp37 with serine
Descriptor: Methyl-accepting chemotaxis (MCP) signaling domain protein, SERINE
Authors:Takahashi, Y, Sumita, K, Uchida, Y, Nishiyama, S, Kawagishi, I, Imada, K.
Deposit date:2015-06-15
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of a Vibrio cholerae chemoreceptor that senses taurine and amino acids as attractants
Sci Rep, 6, 2016
7R27
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BU of 7r27 by Molmil
Crystal structure of the L. plantarum D-alanine ligase DltA
Descriptor: ADENOSINE MONOPHOSPHATE, D-ALANINE, D-alanine--D-alanyl carrier protein ligase
Authors:Nikolopoulos, N, Ravaud, S, Simorre, J.P, Grangeasse, C.
Deposit date:2022-02-04
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum.
Sci Rep, 12, 2022
6OOW
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BU of 6oow by Molmil
The crystal structure of 4-ethylbenzoate bound to T252A mutant of CYP199A4
Descriptor: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
5X8L
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BU of 5x8l by Molmil
PD-L1 in complex with atezolizumab
Descriptor: Programmed cell death 1 ligand 1, atezolizumab heavy chain, atezolizumab light chain
Authors:Heo, Y.S, Lee, H.T.
Deposit date:2017-03-03
Release date:2017-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab
Sci Rep, 7, 2017
6WI7
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BU of 6wi7 by Molmil
RING1B-BMI1 fusion in closed conformation
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2020-04-08
Release date:2021-04-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
6WI8
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BU of 6wi8 by Molmil
Inhibitor compound-induced confrontational change in Ring1b-Bmi1 domain structure
Descriptor: E3 ubiquitin-protein ligase RING2,Polycomb complex protein BMI-1 chimera, ZINC ION
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2020-04-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.092 Å)
Cite:Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain.
Nat.Chem.Biol., 17, 2021
6OFD
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BU of 6ofd by Molmil
The crystal structure of octadecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P, Kan, M.W.
Deposit date:2019-03-29
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.
Eur.J.Med.Chem., 182, 2019
4XDA
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BU of 4xda by Molmil
Vibrio cholerae O395 Ribokinase complexed with Ribose, ADP and Sodium ion.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ribokinase, SODIUM ION, ...
Authors:Paul, R, Patra, M.D, Sen, U.
Deposit date:2014-12-19
Release date:2015-03-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Apo and Ligand Bound Vibrio cholerae Ribokinase (Vc-RK): Role of Monovalent Cation Induced Activation and Structural Flexibility in Sugar Phosphorylation
Adv.Exp.Med.Biol., 842, 2015
6ABP
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BU of 6abp by Molmil
SUGAR-BINDING AND CRYSTALLOGRAPHIC STUDIES OF AN ARABINOSE-BINDING PROTEIN MUTANT (MET108LEU) WHICH EXHIBITS ENHANCED AFFINITY AND ALTERED SPECIFICITY
Descriptor: L-ARABINOSE-BINDING PROTEIN, alpha-L-arabinopyranose, beta-L-arabinopyranose
Authors:Vermersch, P.S, Tesmer, J.J.G, Quiocho, F.A.
Deposit date:1991-04-25
Release date:1991-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Sugar-binding and crystallographic studies of an arabinose-binding protein mutant (Met108Leu) that exhibits enhanced affinity and altered specificity.
Biochemistry, 30, 1991

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