3EV3
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![BU of 3ev3 by Molmil](/molmil-images/mine/3ev3) | Crystal Structure of Ribonuclease A in 70% t-Butanol | 分子名称: | Ribonuclease pancreatic, TERTIARY-BUTYL ALCOHOL | 著者 | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | 登録日 | 2008-10-12 | 公開日 | 2009-06-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Multiple solvent crystal structures of ribonuclease A: An assessment of the method Proteins, 76, 2009
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1BZ5
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![BU of 1bz5 by Molmil](/molmil-images/mine/1bz5) | EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZE FROM THIOCYANATE, CHLORIDE OR SULFATE | 分子名称: | PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | 著者 | Hamiaux, C, Prange, T, Ries-Kautt, M, Ducruix, A, Lafont, S, Astier, J.P, Veesler, S. | 登録日 | 1998-11-05 | 公開日 | 1998-11-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | The BPTI decamer observed in acidic pH crystal forms pre-exists as a stable species in solution. J.Mol.Biol., 297, 2000
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7ZF2
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![BU of 7zf2 by Molmil](/molmil-images/mine/7zf2) | Protomeric substructure from an octameric assembly of M. tuberculosis RNA polymerase in complex with sigma-b initiation factor | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Trapani, S, Bron, P, Lai Kee Him, J, Brodolin, K, Morichaud, Z, Vishwakarma, R. | 登録日 | 2022-03-31 | 公開日 | 2023-02-08 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.86 Å) | 主引用文献 | Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization. Nat Commun, 14, 2023
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7S19
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7S18
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![BU of 7s18 by Molmil](/molmil-images/mine/7s18) | Crystal structure of cruzain with gallinamide analog from 2-biaryl series | 分子名称: | Cruzipain, N,N-dimethyl-L-valyl-L-leucyl-N-[(3S)-6-{(2S)-2-[([1,1'-biphenyl]-4-yl)methyl]-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-6-oxo-1-phenylhexan-3-yl]-L-leucinamide | 著者 | Sharma, V, Podust, L.M. | 登録日 | 2021-09-01 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against Trypanosoma cruzi . J.Med.Chem., 65, 2022
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5WMM
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![BU of 5wmm by Molmil](/molmil-images/mine/5wmm) | Crystal structure of an adenylation domain interrupted by a methylation domain (AMA4) from nonribosomal peptide synthetase TioS | 分子名称: | (2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate, CALCIUM ION, CHLORIDE ION, ... | 著者 | Pang, A.H, Mori, S, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2017-07-30 | 公開日 | 2018-03-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for backbone N-methylation by an interrupted adenylation domain. Nat. Chem. Biol., 14, 2018
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2FOF
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![BU of 2fof by Molmil](/molmil-images/mine/2fof) | Structure of porcine pancreatic elastase in 80% isopropanol | 分子名称: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | 登録日 | 2006-01-13 | 公開日 | 2006-04-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
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2FOB
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![BU of 2fob by Molmil](/molmil-images/mine/2fob) | Structure of porcine pancreatic elastase in 40/50/10 cyclohexane | 分子名称: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | 登録日 | 2006-01-13 | 公開日 | 2006-04-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
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2FOA
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![BU of 2foa by Molmil](/molmil-images/mine/2foa) | Structure of porcine pancreatic elastase in 40/50/10 % benzene | 分子名称: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | 登録日 | 2006-01-13 | 公開日 | 2006-04-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration J.Mol.Biol., 357, 2006
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4UTN
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![BU of 4utn by Molmil](/molmil-images/mine/4utn) | Crystal structure of zebrafish Sirtuin 5 in complex with succinylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-21 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UU7
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![BU of 4uu7 by Molmil](/molmil-images/mine/4uu7) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-methyl- succinylated CPS1-peptide | 分子名称: | (2R)-2-methylbutanedioic acid, (2S)-2-methylbutanedioic acid, 1,2-ETHANEDIOL, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-24 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTV
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![BU of 4utv by Molmil](/molmil-images/mine/4utv) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-phenyl- succinylated CPS1-peptide | 分子名称: | (2R)-2-phenylbutanedioic acid, (2S)-2-phenylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-23 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTR
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![BU of 4utr by Molmil](/molmil-images/mine/4utr) | Crystal structure of zebrafish Sirtuin 5 in complex with glutarylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLUTARIC ACID, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-22 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTZ
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![BU of 4utz by Molmil](/molmil-images/mine/4utz) | Crystal structure of zebrafish Sirtuin 5 in complex with adipoylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-24 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUA
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![BU of 4uua by Molmil](/molmil-images/mine/4uua) | Crystal structure of zebrafish Sirtuin 5 in complex with 3S-Z-amino- succinylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-25 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UU8
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![BU of 4uu8 by Molmil](/molmil-images/mine/4uu8) | Crystal structure of zebrafish Sirtuin 5 in complex with 3,3-dimethyl- succinylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, 2,2-dimethylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-24 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUB
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![BU of 4uub by Molmil](/molmil-images/mine/4uub) | Crystal structure of zebrafish Sirtuin 5 in complex with 2R-butyl- succinylated CPS1-peptide | 分子名称: | (2R)-2-butylbutanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-25 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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7ZC9
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![BU of 7zc9 by Molmil](/molmil-images/mine/7zc9) | |
7ZCB
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![BU of 7zcb by Molmil](/molmil-images/mine/7zcb) | Human Pikachurin/EGFLAM N-terminal Fibronectin-III (1-2) domains | 分子名称: | CHLORIDE ION, Pikachurin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Pantalone, S, Savino, S, Viti, L.V, Forneris, F. | 登録日 | 2022-03-26 | 公開日 | 2023-07-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the photoreceptor synaptic assembly of the extracellular matrix protein pikachurin with the orphan receptor GPR179. Sci.Signal., 16, 2023
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5UBZ
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![BU of 5ubz by Molmil](/molmil-images/mine/5ubz) | Fab structure of HIV gp120 specific mAb 1E12 | 分子名称: | Anti-HIV1 gp120 mAb 1E12 Fab heavy chain, Anti-HIV1 gp120 mAb 1E12 Fab light chain | 著者 | Pan, R, Kong, X.-P. | 登録日 | 2016-12-21 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | High Antibody Diversity and Low Inter-clonal Competition Favor Production of Functional Neutralizing Antibodies To be published
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5UBY
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![BU of 5uby by Molmil](/molmil-images/mine/5uby) | Fab structure of anti-HIV-1 gp120 mAb 1A8 | 分子名称: | Heavy chain of Fab fragment of anti-HIV1 gp120 mAb 1A8, Light chain of Fab fragment of anti-HIV1 gp120 mAb 1A8 | 著者 | Pan, R, Kong, X.-P. | 登録日 | 2016-12-21 | 公開日 | 2018-01-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | High Antibody Diversity and Low Inter-clonal Competition Favor Production of Functional Neutralizing Antibodies To be Published
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5RCA
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![BU of 5rca by Molmil](/molmil-images/mine/5rca) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G08b | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5RCC
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![BU of 5rcc by Molmil](/molmil-images/mine/5rcc) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H02b | 分子名称: | 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | 登録日 | 2020-03-24 | 公開日 | 2020-06-03 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | 主引用文献 | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5STA
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![BU of 5sta by Molmil](/molmil-images/mine/5sta) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P02F03 from the F2X-Universal Library | 分子名称: | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ... | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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2X1R
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![BU of 2x1r by Molmil](/molmil-images/mine/2x1r) | Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase | 分子名称: | 3-(PROPYLSULFONYL)PROPANOIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ... | 著者 | Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Casteleijn, M.G, Neubauer, P, Salmon, L, Wierenga, R. | 登録日 | 2010-01-04 | 公開日 | 2010-01-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase Acta Crystallogr.,Sect.D, 66, 2010
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