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1PCK
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BU of 1pck by Molmil
Aquifex aeolicus KDO8PS in complex with Z-methyl-PEP
Descriptor: 2-(PHOSPHONOOXY)BUTANOIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ...
Authors:Wang, J, Xu, X, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L.
Deposit date:2003-05-16
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase.
DRUG DES.DISCOVERY, 18, 2003
8JWU
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BU of 8jwu by Molmil
PHD Finger Protein 7 (PHF7) fused to UBE2D2 via a (GSGG)3 linker
Descriptor: PHD finger protein 7,Ubiquitin-conjugating enzyme E2 D2, ZINC ION
Authors:Lee, H.S, Bang, I, Choi, H.-J.
Deposit date:2023-06-29
Release date:2023-12-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Molecular basis for PHF7-mediated ubiquitination of histone H3.
Genes Dev., 37, 2023
1HSQ
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BU of 1hsq by Molmil
SOLUTION STRUCTURE OF THE SH3 DOMAIN OF PHOSPHOLIPASE CGAMMA
Descriptor: PHOSPHOLIPASE C-GAMMA (SH3 DOMAIN)
Authors:Kohda, D, Hatanaka, H, Odaka, M, Inagaki, F.
Deposit date:1994-06-13
Release date:1994-08-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the SH3 domain of phospholipase C-gamma.
Cell(Cambridge,Mass.), 72, 1993
1PCW
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BU of 1pcw by Molmil
Aquifex aeolicus KDO8PS in complex with cadmium and APP, a bisubstrate inhibitor
Descriptor: 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION
Authors:Xu, X, Wang, J, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L.
Deposit date:2003-05-17
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase.
Drug DES.DISCOVERY, 18, 2003
2Z1X
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BU of 2z1x by Molmil
tRNA guanine transglycosylase E235Q mutant in complex with preQ1
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Tidten, N, Stengl, B, Heine, A, Garcia, G.A, Klebe, G, Reuter, K.
Deposit date:2007-05-16
Release date:2007-11-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies
J.Mol.Biol., 374, 2007
2Z29
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BU of 2z29 by Molmil
Thr109Ala dihydroorotase from E. coli
Descriptor: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ...
Authors:Lee, M, Maher, M.J, Guss, J.M.
Deposit date:2007-05-17
Release date:2007-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
4PO1
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BU of 4po1 by Molmil
Mycobacterium tuberculosis RecA glycerol bound room temperature structure IIC-RT
Descriptor: GLYCEROL, Protein RecA
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-23
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
2D4R
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BU of 2d4r by Molmil
Crystal structure of TTHA0849 from Thermus thermophilus HB8
Descriptor: SULFATE ION, hypothetical protein TTHA0849
Authors:Nakabayashi, M, Shibata, N, Kuramitsu, S, Higuchi, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-10-23
Release date:2005-12-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a conserved hypothetical protein, TTHA0849 from Thermus thermophilus HB8, at 2.4 A resolution: a putative member of the StAR-related lipid-transfer (START) domain superfamily.
Acta Crystallogr.,Sect.F, 61, 2005
5KBL
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BU of 5kbl by Molmil
Candida Albicans Superoxide Dismutase 5 (SOD5), E110Q Mutant
Descriptor: COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION
Authors:Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J.
Deposit date:2016-06-03
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.414 Å)
Cite:The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
5JXA
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BU of 5jxa by Molmil
Crystal structure of ligand-free VRC03 antigen-binding fragment.
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ...
Authors:Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-12
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.
Structure, 24, 2016
5JZ8
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BU of 5jz8 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer)
Descriptor: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:McDonough, M.A, Pfeffer, I.
Deposit date:2016-05-16
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
2ZV9
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BU of 2zv9 by Molmil
Lyn Tyrosine Kinase Domain-PP2 complex
Descriptor: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Tyrosine-protein kinase Lyn
Authors:Williams, N.K, Rossjohn, J.
Deposit date:2008-11-04
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
J.Biol.Chem., 284, 2009
5K1V
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BU of 5k1v by Molmil
Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ...
Authors:Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E.
Deposit date:2016-05-18
Release date:2017-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
5K4U
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BU of 5k4u by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei showing different active site loop conformations between dimer subunits, refined to 1.9 angstroms
Descriptor: ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ...
Authors:Adjogatse, E.K, Cooper, J.B, Erskine, P.T.
Deposit date:2016-05-22
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
4MFE
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BU of 4mfe by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with 3-hydroxypyruvate
Descriptor: 3-HYDROXYPYRUVIC ACID, BIOTIN, CHLORIDE ION, ...
Authors:Lietzan, A.D, St.Maurice, M.
Deposit date:2013-08-27
Release date:2013-11-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Insights into the carboxyltransferase reaction of pyruvate carboxylase from the structures of bound product and intermediate analogs.
Biochem.Biophys.Res.Commun., 441, 2013
5KBM
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BU of 5kbm by Molmil
Candida Albicans Superoxide Dismutase 5 (SOD5), D113N Mutant
Descriptor: COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION
Authors:Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J.
Deposit date:2016-06-03
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.416 Å)
Cite:The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
1QQO
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BU of 1qqo by Molmil
E175S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HYDROLASE (ACTING ON ACID ANHYDRIDES), ...
Authors:Johnson, E.R, McKay, D.B.
Deposit date:1999-06-07
Release date:1999-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein.
Biochemistry, 38, 1999
4MJ5
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BU of 4mj5 by Molmil
Crystal Structure of HLA-A*1101 in complex with H1-22, an influenza A(H1N1) virus epitope
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ...
Authors:Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F.
Deposit date:2013-09-03
Release date:2014-10-08
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
1QQM
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BU of 1qqm by Molmil
D199S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, D199S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN, ...
Authors:Johnson, E.R, Mckay, D.B.
Deposit date:1999-06-07
Release date:1999-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the role of active site residues for transducing an ATP-induced conformational change in the bovine 70-kDa heat shock cognate protein.
Biochemistry, 38, 1999
1LZV
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BU of 1lzv by Molmil
Site-Specific Mutant (Tyr7 replaced with His) of Human Carbonic Anhydrase II
Descriptor: Carbonic Anhydrase II, ZINC ION
Authors:Tu, C.K, Qian, M, An, H, Wadhwa, N.R, Duda, D.M, Yoshioka, C, Pathak, Y, McKenna, R, Laipis, P.J, Silverman, D.N.
Deposit date:2002-06-11
Release date:2002-10-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kinetic analysis of multiple proton shuttles in the active site of human carbonic anhydrase.
J.Biol.Chem., 277, 2002
4MIM
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BU of 4mim by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with 3-bromopyruvate
Descriptor: Bromopyruvate, CHLORIDE ION, GLYCEROL, ...
Authors:Lietzan, A.D, St.Maurice, M.
Deposit date:2013-09-01
Release date:2014-08-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Insights into the carboxyltransferase reaction of pyruvate carboxylase from the structures of bound product and intermediate analogs.
Biochem.Biophys.Res.Commun., 441, 2013
2OWZ
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BU of 2owz by Molmil
R-state, citrate and Fru-6-P-bound Escherichia coli fructose-1,6-bisphosphatase
Descriptor: 6-O-phosphono-beta-D-fructofuranose, CITRIC ACID, Fructose-1,6-bisphosphatase
Authors:Hines, J.K, Fromm, H.J, Honzatko, R.B.
Deposit date:2007-02-17
Release date:2007-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structures of activated fructose-1,6-bisphosphatase from Escherichia coli. Coordinate regulation of bacterial metabolism and the conservation of the R-state.
J.Biol.Chem., 282, 2007
5FXJ
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BU of 5fxj by Molmil
GluN1b-GluN2B NMDA receptor structure-Class X
Descriptor: GLUTAMATE RECEPTOR IONOTROPIC, NMDA 1, NMDA 2B
Authors:Tajima, N, Karakas, E, Grant, T, Simorowski, N, Diaz-Avalos, R, Grigorieff, N, Furukawa H, H.
Deposit date:2016-03-02
Release date:2016-05-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.25 Å)
Cite:Activation of Nmda Receptors and the Mechanism of Inhibition by Ifenprodil.
Nature, 534, 2016
4Q7W
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BU of 4q7w by Molmil
Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
Descriptor: 1-hydroxy-6-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-04-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
5FBP
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BU of 5fbp by Molmil
CRYSTAL STRUCTURE OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH THE PRODUCT FRUCTOSE 6-PHOSPHATE AT 2.1-ANGSTROMS RESOLUTION
Descriptor: 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE
Authors:Ke, H, Liang, J.-Y, Zhang, Y, Lipscomb, W.N.
Deposit date:1991-02-11
Release date:1992-07-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the neutral form of fructose-1,6-bisphosphatase complexed with the product fructose 6-phosphate at 2.1-A resolution.
Proc.Natl.Acad.Sci.USA, 88, 1991

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