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3TNW
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BU of 3tnw by Molmil
Structure of CDK2/cyclin A in complex with CAN508
分子名称: 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Baumli, S, Hole, A.J, Endicott, J.A.
登録日2011-09-02
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508.
Acs Chem.Biol., 7, 2012
3TRZ
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BU of 3trz by Molmil
Mouse Lin28A in complex with let-7d microRNA pre-element
分子名称: 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
著者Nam, Y, Sliz, P.
登録日2011-09-11
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular Basis for Interaction of let-7 MicroRNAs with Lin28.
Cell(Cambridge,Mass.), 147, 2011
3TZB
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BU of 3tzb by Molmil
Quinone Oxidoreductase (NQ02) bound to NSC13000
分子名称: 9-AMINOACRIDINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Dunstan, M.S, Leys, D.
登録日2011-09-27
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1901 Å)
主引用文献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
3U19
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BU of 3u19 by Molmil
CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51
分子名称: GLYCEROL, artificial protein OR51
著者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)
登録日2011-09-29
公開日2011-10-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF ACYLENZYME INTERMEDIATE OF DE NOVO DESIGNED CYSTEINE ESTERASE ECH13, Northeast Structural Genomics Consortium Target OR51
To be Published
3TTC
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BU of 3ttc by Molmil
Crystal structure of E. coli HypF with ADP and carbamoyl phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ...
著者Petkun, S, Shi, R, Li, Y, Cygler, M.
登録日2011-09-14
公開日2011-12-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3TSU
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BU of 3tsu by Molmil
Crystal structure of E. coli HypF with AMP-PNP and carbamoyl phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Petkun, S, Shi, R, Li, Y, Cygler, M.
登録日2011-09-13
公開日2011-12-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3TYE
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Dihydropteroate Synthase in complex with DHP-STZ
分子名称: 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, ...
著者Yun, M.-K, White, S.W.
登録日2011-09-24
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TJ4
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Crystal structure of an enolase from agrobacterium tumefaciens (efi target efi-502087) no mg
分子名称: CHLORIDE ION, GLYCEROL, Mandelate racemase, ...
著者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)
登録日2011-08-23
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of an enolase from agrobacterium tumefaciens (efi target efi-502087) no mg
to be published
3TLS
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BU of 3tls by Molmil
The GLIC pentameric Ligand-Gated Ion Channel E19'P mutant in a locally-closed conformation (LC2 subtype)
分子名称: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
著者Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
登録日2011-08-30
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3TN3
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Crystal structure of GkaP from Geobacillus kaustophilus HTA426
分子名称: COBALT (II) ION, Phosphotriesterase
著者An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G.
登録日2011-09-01
公開日2012-09-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
to be published
3TTJ
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BU of 3ttj by Molmil
Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury
分子名称: 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10
著者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.
登録日2011-09-14
公開日2012-01-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Bioorg.Med.Chem.Lett., 22, 2012
3TUL
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BU of 3tul by Molmil
Crystal structure of N-terminal region of Type III Secretion Major Translocator SipB (residues 82-226)
分子名称: Cell invasion protein sipB
著者Barta, M.L, Dickenson, N.E, Patel, M, Keightley, J.A, Picking, W.D, Picking, W.L, Geisbrecht, B.V.
登録日2011-09-16
公開日2012-02-15
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins.
J.Mol.Biol., 417, 2012
3QAH
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BU of 3qah by Molmil
Crystal structure of apo-form human MOF catalytic domain
分子名称: Probable histone acetyltransferase MYST1, ZINC ION
著者Sun, B, Tang, Q, Zhong, C, Ding, J.
登録日2011-01-11
公開日2011-07-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Regulation of the histone acetyltransferase activity of hMOF via autoacetylation of Lys274
Cell Res., 21, 2011
3QCJ
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BU of 3qcj by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, in complex with 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid
分子名称: 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid, Receptor-type tyrosine-protein phosphatase gamma
著者Sheriff, S.
登録日2011-01-16
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献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
3QCB
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BU of 3qcb by Molmil
Human receptor protein tyrosine phosphatase gamma, domain 1, apo
分子名称: Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION
著者Sheriff, S.
登録日2011-01-16
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
3QGD
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BU of 3qgd by Molmil
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
分子名称: (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, ...
著者Sheriff, S.
登録日2011-01-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
3QAW
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BU of 3qaw by Molmil
Crystal structure of a glutathione-S-transferase from Antarctic clam Laternula elliptica in a complex with glutathione
分子名称: GLUTATHIONE, Rho-class glutathione S-transferase
著者Park, A.K, Moon, J.H, Chi, Y.M.
登録日2011-01-12
公開日2012-02-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of a shellfish specific GST class glutathione S-transferase from antarctic bivalve Laternula elliptica reveals novel active site architecture.
Proteins, 81, 2013
3QEH
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BU of 3qeh by Molmil
Crystal structure of human N12-i15, an ADCC and non-neutralizing anti-HIV-1 Env antibody
分子名称: CHLORIDE ION, Fab fragment of human anti-HIV-1 Env antibody N12-i15, heavy chain, ...
著者Guan, Y, DeVico, A.L, Lewis, G.K, Pazgier, M.
登録日2011-01-20
公開日2012-01-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of human N12-i15, an ADCC and non-neutralizing anti-HIV-1 Env antibody
To be Published
3RA2
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BU of 3ra2 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
分子名称: Capsid protein
著者Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
登録日2011-03-26
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
3RSG
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BU of 3rsg by Molmil
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.
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-02
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RT9
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BU of 3rt9 by Molmil
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
分子名称: COENZYME A, POTASSIUM ION, Putative uncharacterized protein, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-03
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3R89
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Crystal structure of orotidine 5-phosphate decarboxylase from Anaerococcus prevotii DSM 20548
分子名称: Orotidine 5'-phosphate decarboxylase
著者Chang, C, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-03-23
公開日2011-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献Crystal structure of orotidine 5'-phosphate decarboxylase from Anaerococcus prevotii DSM 20548
To be Published
3R8Y
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BU of 3r8y by Molmil
Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase
分子名称: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-acetyltransferase, CALCIUM ION
著者Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-03-24
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Bacillus anthracis tetrahydropicolinate succinyltransferase
TO BE PUBLISHED
3R9Z
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BU of 3r9z by Molmil
Crystal Structure of StWhy2 K67A (form II)
分子名称: PHOSPHATE ION, Why2 protein
著者Cappadocia, L, Brisson, N, Sygusch, J.
登録日2011-03-26
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献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
3RRJ
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BU of 3rrj by Molmil
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
分子名称: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-04-29
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012

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