5R0Z
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![BU of 5r0z by Molmil](/molmil-images/mine/5r0z) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 13, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-12 | 公開日 | 2020-06-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.86 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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5R1F
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![BU of 5r1f by Molmil](/molmil-images/mine/5r1f) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 30, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-12 | 公開日 | 2020-06-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 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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5R1W
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![BU of 5r1w by Molmil](/molmil-images/mine/5r1w) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C11, DMSO-free | 分子名称: | Endothiapepsin, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.077 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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5R2D
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![BU of 5r2d by Molmil](/molmil-images/mine/5r2d) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H11, DMSO-free | 分子名称: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (0.919 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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6EQS
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![BU of 6eqs by Molmil](/molmil-images/mine/6eqs) | Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29 | 分子名称: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | 著者 | Pannek, M, Steegborn, C. | 登録日 | 2017-10-15 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. Angew. Chem. Int. Ed. Engl., 56, 2017
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5R2T
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![BU of 5r2t by Molmil](/molmil-images/mine/5r2t) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 17, DMSO-Free | 分子名称: | Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.009 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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1Y93
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![BU of 1y93 by Molmil](/molmil-images/mine/1y93) | Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution | 分子名称: | ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P. | 登録日 | 2004-12-14 | 公開日 | 2005-04-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure Proc.Natl.Acad.Sci.Usa, 102, 2005
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7DQC
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![BU of 7dqc by Molmil](/molmil-images/mine/7dqc) | Crystal structure of nucleotide-free mutant A(S23C)3B(N64C)3 complex from Enterococcus hirae V-ATPase | 分子名称: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | 著者 | Maruyama, S, Suzuki, K, Mizutani, K, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Murata, M. | 登録日 | 2020-12-23 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.706 Å) | 主引用文献 | The combination of high-speed AFM and X-ray crystallography reveals rotary catalytic mechanism of shaftless V1-ATPase To Be Published
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5R3B
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![BU of 5r3b by Molmil](/molmil-images/mine/5r3b) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 35, DMSO-Free | 分子名称: | Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.17 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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1Y9S
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![BU of 1y9s by Molmil](/molmil-images/mine/1y9s) | Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-propargyl Thymidine (T*) | 分子名称: | 5'-D(*GP*CP*GP*TP*AP*(2GT)P*AP*CP*GP*C)-3') | 著者 | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharan, M. | 登録日 | 2004-12-16 | 公開日 | 2005-06-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the RNA Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications. Biochemistry, 44, 2005
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5R3P
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![BU of 5r3p by Molmil](/molmil-images/mine/5r3p) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 49, DMSO-Free | 分子名称: | Endothiapepsin | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-13 | 公開日 | 2020-06-03 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.077 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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2Q10
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![BU of 2q10 by Molmil](/molmil-images/mine/2q10) | RESTRICTION ENDONUCLEASE BcnI (WILD TYPE)-COGNATE DNA SUBSTRATE COMPLEX | 分子名称: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*CP*CP*GP*GP*AP*GP*AP*C)-3'), ... | 著者 | Sokolowska, M, Kaus-Drobek, M, Czapinska, H, Tamulaitis, G, Szczepanowski, R.H, Urbanke, C, Siksnys, V, Bochtler, M. | 登録日 | 2007-05-23 | 公開日 | 2007-06-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Monomeric Restriction Endonuclease BcnI in the Apo Form and in an Asymmetric Complex with Target DNA. J.Mol.Biol., 369, 2007
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1YBC
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![BU of 1ybc by Molmil](/molmil-images/mine/1ybc) | Crystal structure of the A-DNA GCGTAT*CGC with a 2'-O-[2-(benzyloxy)ethyl] Thymidine (T*) | 分子名称: | 5'-D(*GP*CP*GP*TP*AP*(BOE)P*AP*CP*GP*C)-3'), STRONTIUM ION | 著者 | Egli, M, Minasov, G, Tereshko, V, Pallan, P.S, Teplova, M, Inamati, G.B, Lesnik, E.A, Owens, S.R, Ross, B.S, Prakash, T.P, Manoharan, M. | 登録日 | 2004-12-20 | 公開日 | 2005-06-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Probing the Influence of Stereoelectronic Effects on the Biophysical Properties of Oligonucleotides: Comprehensive Analysis of the RNA Affinity, Nuclease Resistance, and Crystal Structure of Ten 2'-O-Ribonucleic Acid Modifications. Biochemistry, 44, 2005
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5FG9
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![BU of 5fg9 by Molmil](/molmil-images/mine/5fg9) | Yeast 20S proteasome beta2-T(-2)V mutant | 分子名称: | MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | 著者 | Huber, E.M, Groll, M. | 登録日 | 2015-12-20 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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5RBY
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![BU of 5rby by Molmil](/molmil-images/mine/5rby) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D11b | 分子名称: | 3-(1,3-thiazol-2-yl)propanoic acid, 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 (1.1 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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5RCE
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![BU of 5rce by Molmil](/molmil-images/mine/5rce) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H05a | 分子名称: | 6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, 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 (1.05 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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5RCX
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![BU of 5rcx by Molmil](/molmil-images/mine/5rcx) | PanDDA analysis group deposition -- Endothiapepsin ground state model 19 | 分子名称: | 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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5RDA
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![BU of 5rda by Molmil](/molmil-images/mine/5rda) | PanDDA analysis group deposition -- Endothiapepsin ground state model 32 | 分子名称: | 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 (0.98 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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5FHS
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5RDQ
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![BU of 5rdq by Molmil](/molmil-images/mine/5rdq) | PanDDA analysis group deposition -- Endothiapepsin ground state model 42 | 分子名称: | 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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5JHV
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![BU of 5jhv by Molmil](/molmil-images/mine/5jhv) | Apo form of influenza strain H1N1 polymerase acidic subunit N-terminal region crystallized with polyethylene glycol 8000 | 分子名称: | MANGANESE (II) ION, Polymerase acidic protein | 著者 | Fudo, S, Yamamoto, N, Nukaga, M, Odagiri, T, Tashiro, M, Hoshino, T. | 登録日 | 2016-04-21 | 公開日 | 2016-05-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.749 Å) | 主引用文献 | Influence of Precipitants on Molecular Arrangements and Space Groups of Protein Crystals Cryst.Growth Des., 17, 2017
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6H79
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5RBS
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![BU of 5rbs by Molmil](/molmil-images/mine/5rbs) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C08a | 分子名称: | (3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-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 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1 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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5RC8
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![BU of 5rc8 by Molmil](/molmil-images/mine/5rc8) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G02a | 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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5FLF
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![BU of 5flf by Molmil](/molmil-images/mine/5flf) | DISEASE LINKED MUTATION IN FGFR | 分子名称: | ACETATE ION, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ... | 著者 | Thiyagarajan, N, Bunney, T.D, Katan, M. | 登録日 | 2015-10-26 | 公開日 | 2016-03-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Landscape of Activating Cancer Mutations in Fgfr Kinases and Their Differential Responses to Inhibitors in Clinical Use. Oncotarget, 7, 2016
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