5SNP
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5SNJ
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6VTJ
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7MF4
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3SMS
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![BU of 3sms by Molmil](/molmil-images/mine/3sms) | Human Pantothenate kinase 3 in complex with a pantothenate analog | 分子名称: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ... | 著者 | Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2011-06-28 | 公開日 | 2011-07-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Human Pantothenate kinase 3 in complex with a pantothenate analog to be published
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6PU2
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![BU of 6pu2 by Molmil](/molmil-images/mine/6pu2) | Dark, Mutant H275T , 100K, PCM Myxobacterial Phytochrome, P2 | 分子名称: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | 著者 | Pandey, S, Schmidt, M, Stojkovic, E.A. | 登録日 | 2019-07-16 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures. Struct Dyn., 6, 2019
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6PTQ
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![BU of 6ptq by Molmil](/molmil-images/mine/6ptq) | Dark, Room Temperature, PCM Myxobacterial Phytochrome, P2, Wild Type | 分子名称: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, BENZAMIDINE, Photoreceptor-histidine kinase BphP | 著者 | Pandey, S, Schmidt, M, Stojkovic, E.A. | 登録日 | 2019-07-16 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures. Struct Dyn., 6, 2019
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6PTX
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![BU of 6ptx by Molmil](/molmil-images/mine/6ptx) | Dark, 100K, PCM Myxobacterial Phytochrome, P2, Wild Type, | 分子名称: | 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | 著者 | Pandey, S, Schmidt, M, Stojkovic, E.A. | 登録日 | 2019-07-16 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures. Struct Dyn., 6, 2019
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5SDP
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![BU of 5sdp by Molmil](/molmil-images/mine/5sdp) | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954 | 分子名称: | 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SLD
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![BU of 5sld by Molmil](/molmil-images/mine/5sld) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1246465616 | 分子名称: | (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | 著者 | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | 登録日 | 2022-03-03 | 公開日 | 2022-03-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.581 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SLU
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![BU of 5slu by Molmil](/molmil-images/mine/5slu) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z1796014543 | 分子名称: | 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... | 著者 | Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. | 登録日 | 2022-03-03 | 公開日 | 2022-03-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5RKY
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![BU of 5rky by Molmil](/molmil-images/mine/5rky) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1796014543 | 分子名称: | 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | 登録日 | 2020-06-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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1TZM
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![BU of 1tzm by Molmil](/molmil-images/mine/1tzm) | Crystal structure of ACC deaminase complexed with substrate analog b-chloro-D-alanine | 分子名称: | 1-aminocyclopropane-1-carboxylate deaminase, 3-chloro-D-alanine, AMINO-ACRYLATE, ... | 著者 | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | 登録日 | 2004-07-10 | 公開日 | 2004-11-02 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction Biochemistry, 43, 2004
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8OZZ
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5RL0
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![BU of 5rl0 by Molmil](/molmil-images/mine/5rl0) | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-2 (Mpro-x3110) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-08-05 | 公開日 | 2020-12-02 | 最終更新日 | 2021-07-07 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors To Be Published
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5RKW
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![BU of 5rkw by Molmil](/molmil-images/mine/5rkw) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z27678561 | 分子名称: | N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | 登録日 | 2020-06-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.242 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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5RK8
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![BU of 5rk8 by Molmil](/molmil-images/mine/5rk8) | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z53116498 | 分子名称: | 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. | 登録日 | 2020-06-02 | 公開日 | 2020-06-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.272 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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5QIE
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![BU of 5qie by Molmil](/molmil-images/mine/5qie) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2856434894 | 分子名称: | FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1, ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | 登録日 | 2018-05-22 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QRC
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![BU of 5qrc by Molmil](/molmil-images/mine/5qrc) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31721798 | 分子名称: | 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, 5-aminolevulinate synthase, erythroid-specific, ... | 著者 | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | 登録日 | 2019-05-22 | 公開日 | 2019-08-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QHJ
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![BU of 5qhj by Molmil](/molmil-images/mine/5qhj) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000709a | 分子名称: | (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol, 1,2-ETHANEDIOL, IODIDE ION, ... | 著者 | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | 登録日 | 2018-05-18 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QGG
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![BU of 5qgg by Molmil](/molmil-images/mine/5qgg) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000693a | 分子名称: | (2S)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2018-05-15 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QI1
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![BU of 5qi1 by Molmil](/molmil-images/mine/5qi1) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000474a | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | 著者 | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | 登録日 | 2018-05-21 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QSE
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![BU of 5qse by Molmil](/molmil-images/mine/5qse) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2017168803 | 分子名称: | (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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8OGO
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![BU of 8ogo by Molmil](/molmil-images/mine/8ogo) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A12 | 分子名称: | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-20 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A12 To Be Published
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8OHJ
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![BU of 8ohj by Molmil](/molmil-images/mine/8ohj) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G08 | 分子名称: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide | 著者 | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | 登録日 | 2023-03-21 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry G08 To Be Published
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