3FW1
 
 | | Quinone Reductase 2 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Winger, J.A, Hantschel, O, Superti-Furga, G, Kuriyan, J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-03-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structure of the leukemia drug imatinib bound to human quinone reductase 2 (NQO2).
Bmc Struct.Biol., 9, 2009
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1S47
 | | Crystal structure analysis of the DNA quadruplex d(TGGGGT)S2 | | Descriptor: | 5'-D(*TP*GP*GP*GP*GP*T)-3', SODIUM ION, THALLIUM (I) ION | | Authors: | Caceres, C, Wright, G, Gouyette, C, Parkinson, G, Subirana, J.A. | | Deposit date: | 2004-01-15 | | Release date: | 2004-02-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Thymine tetrad in d(TGGGGT) quadruplexes stabilized with Tl+1/Na+1 ions
Nucleic Acids Res., 32, 2004
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3FXG
 | | Crystal structure of rhamnonate dehydratase from Gibberella zeae complexed with Mg | | Descriptor: | MAGNESIUM ION, Rhamnonate dehydratase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-01-20 | | Release date: | 2009-02-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of rhamnonate dehydratase from Gibberella zeae complexed with Mg
To be Published
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3G0G
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | | Descriptor: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | Deposit date: | 2009-01-27 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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3UEL
 | | Crystal structure of the catalytic domain of rat poly (ADP-ribose) glycohydrolase bound to ADP-HPD | | Descriptor: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, Poly(ADP-ribose) glycohydrolase | | Authors: | Kim, I.K, Kiefer, J.R, Stegemann, R.A, Classen, S, Tainer, J.A, Ellenberger, T. | | Deposit date: | 2011-10-30 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of mammalian poly(ADP-ribose) glycohydrolase reveals a flexible tyrosine clasp as a substrate-binding element.
Nat.Struct.Mol.Biol., 19, 2012
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3G1A
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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5DI7
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol | | Descriptor: | (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-08-31 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.241 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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3UIY
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5CYB
 | | Structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Carrasco-Lopez, C, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.A. | | Deposit date: | 2015-07-30 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unraveling the function and structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
To Be Published
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1S6A
 | | The X-ray structure of the cyanobacteria Synechocystis hemoglobin "cyanoglobin" with azide ligand | | Descriptor: | AZIDE ION, CITRATE ANION, Cyanoglobin, ... | | Authors: | Trent III, J.T, Kundu, S, Hoy, J.A, Hargrove, M.S. | | Deposit date: | 2004-01-22 | | Release date: | 2004-09-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystallographic analysis of synechocystis cyanoglobin reveals the structural changes accompanying ligand binding in a hexacoordinate hemoglobin.
J.Mol.Biol., 341, 2004
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3G33
 | | Crystal structure of CDK4/cyclin D3 | | Descriptor: | CCND3 protein, Cell division protein kinase 4 | | Authors: | Takaki, T, Echalier, A, Brown, N.R, Hunt, T, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2009-02-01 | | Release date: | 2009-03-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structure of CDK4/cyclin D3 has implications for models of CDK activation.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7LJ1
 | | Human Prx1-Srx Decameric Complex | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Forshaw, T.E, Reisz, J.A, Nelson, K.J, Gumpena, R, Lawson, J.R, Jonsson, T, Wu, H, Clodfelter, J.E, Johnson, L, Furdui, C.M, Lowther, W.T. | | Deposit date: | 2021-01-28 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Specificity of Human Sulfiredoxin for Reductant and Peroxiredoxin Oligomeric State.
Antioxidants (Basel), 10, 2021
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7LWA
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3G1D
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-29 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3UN0
 | | Crystal Structure of MDC1 FHA Domain | | Descriptor: | Mediator of DNA damage checkpoint protein 1, SULFATE ION | | Authors: | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | | Deposit date: | 2011-11-15 | | Release date: | 2011-12-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator.
Nucleic Acids Res., 40, 2012
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3UF0
 | | Crystal structure of a putative NAD(P) dependent gluconate 5-dehydrogenase from Beutenbergia cavernae(EFI target EFI-502044) with bound NADP (low occupancy) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2011-10-31 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a putative NAD(P) dependent gluconate 5-dehydrogenase from Beutenbergia cavernae(EFI target EFI-502044) with bound NADP (low occupancy)
To be Published
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5D55
 | | Crystal structure of the E. coli Hda pilus minor tip subunit, HdaB | | Descriptor: | CITRATE ANION, HdaB,HdaA (Adhesin), HUS-associated diffuse adherence, ... | | Authors: | Lee, W.-C, Garnett, J.A, Matthews, S.J. | | Deposit date: | 2015-08-10 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure and analysis of HdaB: The enteroaggregative Escherichia coli AAF/IV pilus tip protein.
Protein Sci., 25, 2016
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1S1M
 | | Crystal Structure of E. Coli CTP Synthetase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, IODIDE ION, ... | | Authors: | Endrizzi, J.A, Kim, H, Anderson, P.M, Baldwin, E.P. | | Deposit date: | 2004-01-06 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Escherichia coli Cytidine Triphosphate Synthetase, a Nucleotide-Regulated Glutamine Amidotransferase/ATP-Dependent Amidoligase Fusion Protein and Homologue of Anticancer and Antiparasitic Drug Targets
Biochemistry, 43, 2004
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1S5V
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5DBQ
 | | Crystal structure of insect thioredoxin at 1.95 Angstroms | | Descriptor: | Thioredoxin | | Authors: | Klinke, S, Tejedor, M.D, Cerutti, M.L, Giacometti, R, Otero, L.H, Goldbaum, F.A, Zavala, J.A, Wolosiuk, R.A, Pagano, E.A. | | Deposit date: | 2015-08-21 | | Release date: | 2016-08-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of insect thioredoxin at 1.95 Angstroms
To Be Published
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3FYY
 | | Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-01-23 | | Release date: | 2009-02-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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7JVD
 | | Fab of 5.6 monoclonal mouse IgG1 co-crystallized with the trisaccharide form of serotype 3 pneumococcal capsular polysaccharide | | Descriptor: | 5.6 Fab heavy chain, 5.6 Fab light chain, beta-D-glucopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose | | Authors: | Ozdilek, A, Huang, J, Paschall, A.V, Babb, R, Middleton, D.R, Duke, J.A, Pirofski, L, Mousa, J.J, Avci, F.Y. | | Deposit date: | 2020-08-20 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Structural Model for the Ligand Binding of Pneumococcal Serotype 3 Capsular Polysaccharide-Specific Protective Antibodies.
Mbio, 12, 2021
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5DIG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol | | Descriptor: | (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-01 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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3G1S
 | | Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum | | Descriptor: | Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3G22
 | | Crystal structure of the mutant D70N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2009-01-30 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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