3TNW
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![BU of 3tnw by Molmil](/molmil-images/mine/3tnw) | Structure of CDK2/cyclin A in complex with CAN508 | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Baumli, S, Hole, A.J, Endicott, J.A. | Deposit date: | 2011-09-02 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508. Acs Chem.Biol., 7, 2012
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3TRZ
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![BU of 3trz by Molmil](/molmil-images/mine/3trz) | Mouse Lin28A in complex with let-7d microRNA pre-element | Descriptor: | Protein lin-28 homolog A, RNA (5'-R(*GP*GP*GP*CP*AP*GP*GP*GP*AP*UP*UP*UP*UP*GP*CP*CP*CP*GP*GP*AP*G)-3'), ZINC ION | Authors: | Nam, Y, Sliz, P. | Deposit date: | 2011-09-11 | Release date: | 2011-11-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular Basis for Interaction of let-7 MicroRNAs with Lin28. Cell(Cambridge,Mass.), 147, 2011
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3TZB
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![BU of 3tzb by Molmil](/molmil-images/mine/3tzb) | Quinone Oxidoreductase (NQ02) bound to NSC13000 | Descriptor: | 9-AMINOACRIDINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Dunstan, M.S, Leys, D. | Deposit date: | 2011-09-27 | Release date: | 2011-11-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1901 Å) | Cite: | In silico screening reveals structurally diverse, nanomolar inhibitors of NQO2 that are functionally active in cells and can modulate NF-kappa B signaling. Mol.Cancer Ther., 11, 2012
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3U19
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![BU of 3u19 by Molmil](/molmil-images/mine/3u19) | CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51 | Descriptor: | GLYCEROL, artificial protein OR51 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-29 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE
ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51 To be Published
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3TTC
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![BU of 3ttc by Molmil](/molmil-images/mine/3ttc) | Crystal structure of E. coli HypF with ADP and carbamoyl phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ... | Authors: | Petkun, S, Shi, R, Li, Y, Cygler, M. | Deposit date: | 2011-09-14 | Release date: | 2011-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites. Structure, 19, 2011
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3TSU
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![BU of 3tsu by Molmil](/molmil-images/mine/3tsu) | Crystal structure of E. coli HypF with AMP-PNP and carbamoyl phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Petkun, S, Shi, R, Li, Y, Cygler, M. | Deposit date: | 2011-09-13 | Release date: | 2011-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites. Structure, 19, 2011
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3TYE
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![BU of 3tye by Molmil](/molmil-images/mine/3tye) | Dihydropteroate Synthase in complex with DHP-STZ | Descriptor: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, ... | Authors: | Yun, M.-K, White, S.W. | Deposit date: | 2011-09-24 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Catalysis and sulfa drug resistance in dihydropteroate synthase. Science, 335, 2012
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3TJ4
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![BU of 3tj4 by Molmil](/molmil-images/mine/3tj4) | Crystal structure of an enolase from agrobacterium tumefaciens (efi target efi-502087) no mg | Descriptor: | CHLORIDE ION, GLYCEROL, Mandelate racemase, ... | Authors: | Vetting, M.W, Bouvier, J.T, Wasserman, S.R, Morisco, L.L, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-08-23 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of an enolase from agrobacterium tumefaciens (efi target efi-502087) no mg to be published
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3TLS
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![BU of 3tls by Molmil](/molmil-images/mine/3tls) | The GLIC pentameric Ligand-Gated Ion Channel E19'P mutant in a locally-closed conformation (LC2 subtype) | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-08-30 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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3TN3
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![BU of 3tn3 by Molmil](/molmil-images/mine/3tn3) | Crystal structure of GkaP from Geobacillus kaustophilus HTA426 | Descriptor: | COBALT (II) ION, Phosphotriesterase | Authors: | An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G. | Deposit date: | 2011-09-01 | Release date: | 2012-09-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides to be published
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3TTJ
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![BU of 3ttj by Molmil](/molmil-images/mine/3ttj) | Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg.Med.Chem.Lett., 22, 2012
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3TUL
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![BU of 3tul by Molmil](/molmil-images/mine/3tul) | Crystal structure of N-terminal region of Type III Secretion Major Translocator SipB (residues 82-226) | Descriptor: | Cell invasion protein sipB | Authors: | Barta, M.L, Dickenson, N.E, Patel, M, Keightley, J.A, Picking, W.D, Picking, W.L, Geisbrecht, B.V. | Deposit date: | 2011-09-16 | Release date: | 2012-02-15 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (2.793 Å) | Cite: | The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins. J.Mol.Biol., 417, 2012
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3QAH
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![BU of 3qah by Molmil](/molmil-images/mine/3qah) | Crystal structure of apo-form human MOF catalytic domain | Descriptor: | Probable histone acetyltransferase MYST1, ZINC ION | Authors: | Sun, B, Tang, Q, Zhong, C, Ding, J. | Deposit date: | 2011-01-11 | Release date: | 2011-07-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Regulation of the histone acetyltransferase activity of hMOF via autoacetylation of Lys274 Cell Res., 21, 2011
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3QCJ
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![BU of 3qcj by Molmil](/molmil-images/mine/3qcj) | |
3QCB
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![BU of 3qcb by Molmil](/molmil-images/mine/3qcb) | Human receptor protein tyrosine phosphatase gamma, domain 1, apo | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION | Authors: | Sheriff, S. | Deposit date: | 2011-01-16 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small molecule receptor protein tyrosine phosphatase [gamma](RPTP[gamma]) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop J.Med.Chem., 54, 2011
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3QGD
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![BU of 3qgd by Molmil](/molmil-images/mine/3qgd) | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide, RNA-directed RNA polymerase, ... | Authors: | Sheriff, S. | Deposit date: | 2011-01-24 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase. Bioorg.Med.Chem.Lett., 21, 2011
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3QAW
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![BU of 3qaw by Molmil](/molmil-images/mine/3qaw) | |
3QEH
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![BU of 3qeh by Molmil](/molmil-images/mine/3qeh) | Crystal structure of human N12-i15, an ADCC and non-neutralizing anti-HIV-1 Env antibody | Descriptor: | CHLORIDE ION, Fab fragment of human anti-HIV-1 Env antibody N12-i15, heavy chain, ... | Authors: | Guan, Y, DeVico, A.L, Lewis, G.K, Pazgier, M. | Deposit date: | 2011-01-20 | Release date: | 2012-01-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of human N12-i15, an ADCC and non-neutralizing anti-HIV-1 Env antibody To be Published
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3RA2
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![BU of 3ra2 by Molmil](/molmil-images/mine/3ra2) | Structural studies of AAV8 capsid transitions associated with endosomal trafficking | Descriptor: | Capsid protein | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | Deposit date: | 2011-03-26 | Release date: | 2011-09-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking. J.Virol., 85, 2011
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3RSG
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![BU of 3rsg by Molmil](/molmil-images/mine/3rsg) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NAD. | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-02 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3RT9
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![BU of 3rt9 by Molmil](/molmil-images/mine/3rt9) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Coenzyme A | Descriptor: | COENZYME A, POTASSIUM ION, Putative uncharacterized protein, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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3R89
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3R8Y
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![BU of 3r8y by Molmil](/molmil-images/mine/3r8y) | Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase | Descriptor: | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-acetyltransferase, CALCIUM ION | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-03-24 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase TO BE PUBLISHED
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3R9Z
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![BU of 3r9z by Molmil](/molmil-images/mine/3r9z) | Crystal Structure of StWhy2 K67A (form II) | Descriptor: | PHOSPHATE ION, Why2 protein | Authors: | Cappadocia, L, Brisson, N, Sygusch, J. | Deposit date: | 2011-03-26 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | A conserved lysine residue of plant Whirly proteins is necessary for higher order protein assembly and protection against DNA damage. Nucleic Acids Res., 40, 2012
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3RRJ
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![BU of 3rrj by Molmil](/molmil-images/mine/3rrj) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P5-Di(adenosine-5') pentaphosphate | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-04-29 | Release date: | 2011-07-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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