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1AZR
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BU of 1azr by Molmil
CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA ZINC AZURIN MUTANT ASP47ASP AT 2.4 ANGSTROMS RESOLUTION
Descriptor: AZURIN, COPPER (II) ION, NITRATE ION
Authors:Sjolin, L, Tsai, Lc, Langer, V, Pascher, T, Karlsson, G, Nordling, M, Nar, H.
Deposit date:1993-03-04
Release date:1993-07-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Pseudomonas aeruginosai zinc azurin mutant Asn47Asp at 2.4 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
3ME3
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BU of 3me3 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
1BQL
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BU of 1bql by Molmil
STRUCTURE OF AN ANTI-HEL FAB FRAGMENT COMPLEXED WITH BOBWHITE QUAIL LYSOZYME
Descriptor: BOBWHITE QUAIL LYSOZYME, HYHEL-5 FAB (HEAVY CHAIN), HYHEL-5 FAB (LIGHT CHAIN)
Authors:Chacko, S, Davies, D.R.
Deposit date:1995-02-03
Release date:1995-04-20
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
3NCA
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BU of 3nca by Molmil
X-ray structure of ketohexokinase in complex with a thieno pyridinol compound
Descriptor: Ketohexokinase, SULFATE ION, thieno[3,2-b]pyridin-7-ol
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J, Parker, M.W.
Deposit date:2010-05-30
Release date:2011-05-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
3NBV
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BU of 3nbv by Molmil
X-ray Structure of Ketohexokinase in complex with AMP-PNP and fructose
Descriptor: Ketohexokinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Abad, M.C, Gibbs, A.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
1C6Z
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BU of 1c6z by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C70
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BU of 1c70 by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-29
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
3P56
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BU of 3p56 by Molmil
The structure of the human RNase H2 complex defines key interaction interfaces relevant to enzyme function and human disease
Descriptor: Ribonuclease H2 subunit A, Ribonuclease H2 subunit B, Ribonuclease H2 subunit C
Authors:Bubeck, D, Graham, S.C, Jones, E.Y.
Deposit date:2010-10-08
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4.06 Å)
Cite:The Structure of the Human RNase H2 Complex Defines Key Interaction Interfaces Relevant to Enzyme Function and Human Disease.
J.Biol.Chem., 286, 2011
1D1Z
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BU of 1d1z by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP
Descriptor: SAP SH2 DOMAIN, SULFATE ION
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-09-22
Release date:1999-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
1AZN
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BU of 1azn by Molmil
CRYSTAL STRUCTURE OF THE AZURIN MUTANT PHE114ALA FROM PSEUDOMONAS AERUGINOSA AT 2.6 ANGSTROMS RESOLUTION
Descriptor: AZURIN, COPPER (II) ION
Authors:Tsai, L.-C, Sjolin, L, Langer, V, Pascher, T, Nar, H.
Deposit date:1994-05-27
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the azurin mutant Phe114Ala from Pseudomonas aeruginosa at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
3P5J
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BU of 3p5j by Molmil
The structure of the human RNase H2 complex defines key interaction interfaces relevant to enzyme function and human disease
Descriptor: Ribonuclease H2 subunit A, Ribonuclease H2 subunit B, Ribonuclease H2 subunit C
Authors:Bubeck, D, Graham, S.C, Jones, E.Y.
Deposit date:2010-10-08
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of the Human RNase H2 Complex Defines Key Interaction Interfaces Relevant to Enzyme Function and Human Disease.
J.Biol.Chem., 286, 2011
1D4T
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BU of 1d4t by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH A SLAM PEPTIDE
Descriptor: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE, T CELL SIGNAL TRANSDUCTION MOLECULE SAP
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-10-06
Release date:1999-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
1D4W
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BU of 1d4w by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH SLAM PHOSPHOPEPTIDE
Descriptor: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE, T CELL SIGNAL TRANSDUCTION MOLECULE SAP
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-10-06
Release date:1999-10-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
1D7X
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BU of 1d7x by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR.
Descriptor: CALCIUM ION, N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ...
Authors:Cheng, M.Y, Natchus, M.G, De, B, Almstead, N.G, Pikul, S.
Deposit date:1999-10-20
Release date:2000-10-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and biological evaluation of matrix metalloproteinase inhibitors derived from a modified proline scaffold.
J.Med.Chem., 42, 1999
1COE
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BU of 1coe by Molmil
SOLUTION CONFORMATION OF COBROTOXIN: A NUCLEAR MAGNETIC RESONANCE AND HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY
Descriptor: COBROTOXIN
Authors:Yu, C, Bhaskaran, R, Yang, C.C.
Deposit date:1994-05-11
Release date:1995-01-26
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution conformation of cobrotoxin: a nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing study.
Biochemistry, 32, 1993
3NBW
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BU of 3nbw by Molmil
X-ray structure of ketohexokinase in complex with a pyrazole compound
Descriptor: 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile, GLYCEROL, Ketohexokinase, ...
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC2
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BU of 3nc2 by Molmil
X-ray structure of ketohexokinase with a quinazoline
Descriptor: Ketohexokinase, SULFATE ION, quinazoline
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
3NC9
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BU of 3nc9 by Molmil
X-ray structure of ketohexokinase complexed with an indazole compound
Descriptor: Ketohexokinase, N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide, SULFATE ION
Authors:Abad, M.C, Gibbs, A.C, Spurlino, J.C.
Deposit date:2010-06-04
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Electron density guided fragment-based lead discovery of ketohexokinase inhibitors.
J.Med.Chem., 53, 2010
1COD
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BU of 1cod by Molmil
SOLUTION CONFORMATION OF COBROTOXIN: A NUCLEAR MAGNETIC RESONANCE AND HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY
Descriptor: COBROTOXIN
Authors:Yu, C, Bhaskaran, R, Yang, C.C.
Deposit date:1994-05-11
Release date:1995-01-26
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution conformation of cobrotoxin: a nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing study.
Biochemistry, 32, 1993
3LBZ
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BU of 3lbz by Molmil
Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6
Descriptor: (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid, B-cell lymphoma 6 protein, N-[(4-bromophenyl)sulfonyl]acetamide
Authors:Ghetu, A.F, Prive, G.G.
Deposit date:2010-01-08
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo.
Cancer Cell, 17, 2010
3PE6
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BU of 3pe6 by Molmil
Crystal Structure of a soluble form of human MGLL in complex with an inhibitor
Descriptor: (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone, Monoglyceride lipase
Authors:Schubert, C, Schalk-Hih, C.
Deposit date:2010-10-25
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution.
Protein Sci., 20, 2011
3Q02
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BU of 3q02 by Molmil
Crystal structure of plasminogen activator inhibitor-1 in a metastable active conformation.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Plasminogen activator inhibitor 1, ...
Authors:Jensen, J.K, Morth, J.P.
Deposit date:2010-12-15
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of plasminogen activator inhibitor-1 in an active conformation with normal thermodynamic stability.
J.Biol.Chem., 286, 2011
6IYF
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BU of 6iyf by Molmil
Structure of pSTING complex
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-12-15
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6H6K
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BU of 6h6k by Molmil
The structure of the FKR mutant of the archaeal translation initiation factor 2 gamma subunit in complex with GDPCP, obtained in the absence of magnesium salts in the crystallization solution.
Descriptor: 1,2-ETHANEDIOL, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, SODIUM ION, ...
Authors:Nikonov, O, Kravchenko, O, Nevskaya, N, Stolboushkina, E, Gabdulkhakov, A, Garber, M, Nikonov, S.
Deposit date:2018-07-27
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome.
Acta Crystallogr D Struct Biol, 75, 2019

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