2AEW
 
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6ZAM
 | | Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. | | 分子名称: | 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ... | | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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6ZAL
 | | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms without glycerol. | | 分子名称: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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6ZAP
 | | Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions. | | 分子名称: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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6ZAF
 | | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 400ms. | | 分子名称: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4001 Å) | | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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6ZAJ
 | | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms. | | 分子名称: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5301 Å) | | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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2AAL
 | | Crystal Structures of the Wild-type, Mutant-P1A and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities | | 分子名称: | MALONATE ION, Malonate semialdehyde decarboxylase | | 著者 | Almrud, J.J, Poelarends, G.J, Johnson Jr, W.H, Serrano, H, Hackert, M.L, Whitman, C.P. | | 登録日 | 2005-07-13 | | 公開日 | 2005-11-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal Structures of the Wild-Type, P1A Mutant, and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities
Biochemistry, 44, 2005
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6ZAK
 | | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. | | 分子名称: | Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ... | | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | 登録日 | 2020-06-05 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV.
To Be Published
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2AAJ
 | | Crystal Structures of the Wild-type, Mutant-P1A and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities | | 分子名称: | Malonate Semialdehyde Decarboxylase | | 著者 | Almrud, J.J, Poelarends, G.J, Johnson Jr, W.H, Serrano, H, Hackert, M.L, Whitman, C.P. | | 登録日 | 2005-07-13 | | 公開日 | 2005-11-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Crystal Structures of the Wild-Type, P1A Mutant, and Inactivated Malonate Semialdehyde Decarboxylase: A Structural Basis for the Decarboxylase and Hydratase Activities
Biochemistry, 44, 2005
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6ZS5
 | | 3.5 A cryo-EM structure of human uromodulin filament core | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Stanisich, J.J, Zyla, D, Afanasyev, P, Xu, J, Pilhofer, M, Boeringer, D, Glockshuber, R. | | 登録日 | 2020-07-15 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | The cryo-EM structure of the human uromodulin filament core reveals a unique assembly mechanism.
Elife, 9, 2020
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8HDG
 | | Small peptide enhances the binding of nutline-3a to MdmX | | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Uncharacterized protein DKFZp686B01123 | | 著者 | Cheng, X.Y, Huang, Y, Wei, Q.Y, Huang, J.J, Peng, Y.W, Su, Z.D. | | 登録日 | 2022-11-04 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Small peptide enhances the binding of nutline-3a to MdmX
To Be Published
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7ABU
 | | Structure of SARS-CoV-2 Main Protease bound to RS102895 | | 分子名称: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-09-08 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6ZPH
 | | Kinesin binding protein complexed with Kif15 motor domain | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, KIF-binding protein, Kinesin-like protein KIF15, ... | | 著者 | Atherton, J, Hummel, J.J.A, Olieric, N, Locke, J, Pena, A, Rosenfeld, S.S, Steinmetz, M.O, Hoogenraad, C.C, Moores, C.A. | | 登録日 | 2020-07-08 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | | 主引用文献 | The mechanism of kinesin inhibition by kinesin-binding protein.
Elife, 9, 2020
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2B35
 | | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by triclosan | | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | | 著者 | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | | 登録日 | 2005-09-19 | | 公開日 | 2006-03-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis
ACS Chem.Biol., 1, 2006
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2B4F
 | | Structure Of A Cold-Adapted Family 8 Xylanase in complex with substrate | | 分子名称: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, endo-1,4-beta-xylanase | | 著者 | De Vos, D, Collins, T, Savvides, S.N, Feller, G, Van Beeumen, J.J. | | 登録日 | 2005-09-23 | | 公開日 | 2006-09-05 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Oligosaccharide binding in family 8 glycosidases: crystal structures of active-site mutants of the beta-1,4-xylanase pXyl from Pseudoaltermonas haloplanktis TAH3a in complex with substrate and product.
Biochemistry, 45, 2006
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5Y7A
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4GGJ
 | | Crystal structure of Zucchini from mouse (mZuc / PLD6 / MitoPLD) | | 分子名称: | Mitochondrial cardiolipin hydrolase, ZINC ION | | 著者 | Ipsaro, J.J, Haase, A.D, Hannon, G.J, Joshua-Tor, L. | | 登録日 | 2012-08-06 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The structural biochemistry of Zucchini implicates it as a nuclease in piRNA biogenesis.
Nature, 491, 2012
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4FUM
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2AKQ
 | | The structure of bovine B-lactoglobulin A in crystals grown at very low ionic strength | | 分子名称: | Beta-lactoglobulin variant A | | 著者 | Adams, J.J, Anderson, B.F, Norris, G.E, Creamer, L.K, Jameson, G.B. | | 登録日 | 2005-08-03 | | 公開日 | 2005-08-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of bovine beta-lactoglobulin (variant A) at very low ionic strength
J.Struct.Biol., 154, 2006
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2AXG
 | | The Immunogenicity of a Viral Cytotoxic T Cell Epitope is controlled by its MHC-bound Conformation | | 分子名称: | 10-mer peptide from BZLF1 trans-activator protein, ACETIC ACID, Beta-2-microglobulin, ... | | 著者 | Tynan, F.E, Elhassen, D, Purcell, A.W, Burrows, J.M, Borg, N.A, Miles, J.J, Williamson, N.A, Green, K.J, Tellam, J, Kjer-Nielsen, L, McCluskey, J, Rossjohn, J, Burrows, S.R. | | 登録日 | 2005-09-05 | | 公開日 | 2005-11-29 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The immunogenicity of a viral cytotoxic T cell epitope is controlled by its MHC-bound conformation
J.Exp.Med., 202, 2005
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4G85
 | | Crystal structure of human HisRS | | 分子名称: | Histidine-tRNA ligase, cytoplasmic | | 著者 | Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P. | | 登録日 | 2012-07-21 | | 公開日 | 2012-09-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing.
Structure, 20, 2012
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2B0D
 | | EcoRV Restriction Endonuclease/GAATTC/Ca2+ | | 分子名称: | 5'-D(*AP*AP*AP*GP*AP*AP*TP*TP*CP*TP*T)-3', CALCIUM ION, Type II restriction enzyme EcoRV | | 著者 | Hiller, D.A, Rodriguez, A.M, Perona, J.J. | | 登録日 | 2005-09-13 | | 公開日 | 2005-09-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Non-cognate Enzyme-DNA Complex: Structural and Kinetic Analysis of EcoRV Endonuclease Bound to the EcoRI Recognition Site GAATTC
J.Mol.Biol., 354, 2005
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2B36
 | | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-pentyl-2-phenoxyphenol | | 分子名称: | 5-PENTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | | 登録日 | 2005-09-19 | | 公開日 | 2006-03-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis
ACS Chem.Biol., 1, 2006
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5Y77
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7DYS
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