4ZWN
 
 | | Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces Cerevisiae | | Descriptor: | Monoglyceride lipase, NITRATE ION, SODIUM ION, ... | | Authors: | Aschauer, P, Rengachari, S, Gruber, K, Oberer, M. | | Deposit date: | 2015-05-19 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
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5VB3
 | | X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide | | Descriptor: | Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION | | Authors: | Li, X. | | Deposit date: | 2017-03-28 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
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5FH1
 | | The structure of rat cytosolic PEPCK variant E89D in complex with GTP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Johnson, T.A, Holyoak, T. | | Deposit date: | 2015-12-21 | | Release date: | 2016-12-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
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3RC3
 | | Human Mitochondrial Helicase Suv3 | | Descriptor: | ATP-dependent RNA helicase SUPV3L1, mitochondrial, AZIDE ION, ... | | Authors: | Dauter, Z, Jedrzejczak, R, Dauter, M, Szczesny, R, Stepien, P. | | Deposit date: | 2011-03-30 | | Release date: | 2011-05-11 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Human Suv3 protein reveals unique features among SF2 helicases.
Acta Crystallogr.,Sect.D, 67, 2011
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6RGN
 | | BteA131 | | Descriptor: | DUF3120 domain-containing protein, SODIUM ION, SULFATE ION | | Authors: | Davidov, G, Zarivach, R. | | Deposit date: | 2019-04-17 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure and membrane-targeting of a Bordetella pertussis effector N-terminal domain.
Biochim Biophys Acta Biomembr, 1861, 2019
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3RJH
 | | Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG:dA at primer terminus and dG:dCMP(CF2)PPin the active site | | Descriptor: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*(8OG)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | | Deposit date: | 2011-04-15 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion
Proc.Natl.Acad.Sci.USA, 109, 2012
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5V09
 | | Crystal structure of human exonuclease 1 Exo1 (D225A) in complex with 5' recessed-end DNA (rVII) | | Descriptor: | DNA (5'-D(*CP*GP*CP*TP*AP*GP*TP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(P*AP*CP*GP*AP*CP*TP*AP*GP*CP*G)-3'), Exonuclease 1, ... | | Authors: | Shi, Y, Beese, L.S. | | Deposit date: | 2017-02-28 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Interplay of catalysis, fidelity, threading, and processivity in the exo- and endonucleolytic reactions of human exonuclease I.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V4I
 | | Osmium(II)(cymene)(chlorido)2-lysozyme adduct with one binding site | | Descriptor: | Lysozyme C, SODIUM ION, dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2017-03-09 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The metalation of hen egg white lysozyme impacts protein stability as shown by ion mobility mass spectrometry, differential scanning calorimetry, and X-ray crystallography.
Chem. Commun. (Camb.), 53, 2017
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3QQ0
 | | Crystal structure of a deletion mutant (N59) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Allison, T.M, Jameson, G.B, Parker, E.J. | | Deposit date: | 2011-02-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
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5VAW
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3QLJ
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3QVM
 | | The structure of olei00960, a hydrolase from Oleispira antarctica | | Descriptor: | CALCIUM ION, CHLORIDE ION, Olei00960, ... | | Authors: | Singer, A.U, Kagan, O, Kim, Y, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-02-25 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
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6TLR
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE | | Descriptor: | 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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5UOV
 | | HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2017-02-01 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex.
Bioorg. Med. Chem., 25, 2017
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6K82
 | | RGLG1 mutant-D338A E378A | | Descriptor: | E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | RGLG1 mutant-D338A E378A
To Be Published
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6K89
 | | The closed state of RGLG1 VWA domain | | Descriptor: | E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | The closed state of RGLG1 VWA domain
To Be Published
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6S2T
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5AMF
 | | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening) | | Descriptor: | BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION | | Authors: | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
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5AME
 | | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION | | Authors: | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.578 Å) | | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
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6RJ4
 | | Molybdenum storage protein - P6422, ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ermler, U, Bruenle, S. | | Deposit date: | 2019-04-26 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
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5BW6
 | | Tryptophan Synthase from Salmonella typhimurium in complex with a single molecule of 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate (F6) in the alpha-site. | | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-06-06 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
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5FH2
 | | The structure of rat cytosolic PEPCK variant E89Q in complex with GTP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Johnson, T.A, Holyoak, T. | | Deposit date: | 2015-12-21 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
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1PO8
 | | Crystal structure of a complex formed between krait venom phospholipase A2 and heptanoic acid at 2.7 A resolution. | | Descriptor: | HEPTANOIC ACID, Phospholipase A2, SODIUM ION | | Authors: | Singh, G, Jayasankar, J, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2003-06-14 | | Release date: | 2004-05-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structure of a complex formed between krait venom phospholipase A2 and heptanoic acid at 2.7 A resolution.
To be Published
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5W2P
 | | Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5 | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ... | | Authors: | Capodagli, G.C, Neiditch, M.B. | | Deposit date: | 2017-06-06 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
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5BWI
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