1FBZ
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![BU of 1fbz by Molmil](/molmil-images/mine/1fbz) | Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity | 分子名称: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | 著者 | Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T. | 登録日 | 2000-07-17 | 公開日 | 2000-08-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity. Proc.Natl.Acad.Sci.Usa, 97, 2000
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1GSI
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![BU of 1gsi by Molmil](/molmil-images/mine/1gsi) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) | 分子名称: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | 著者 | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | 登録日 | 2002-01-03 | 公開日 | 2002-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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1GTV
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![BU of 1gtv by Molmil](/molmil-images/mine/1gtv) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE-5'-DIPHOSPHATE (TDP) | 分子名称: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | 著者 | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | 登録日 | 2002-01-21 | 公開日 | 2002-03-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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6EUC
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![BU of 6euc by Molmil](/molmil-images/mine/6euc) | Reactivating oxime bound to Tc AChE's catalytic gorge. | 分子名称: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | 登録日 | 2017-10-30 | 公開日 | 2018-11-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.21998858 Å) | 主引用文献 | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration. Chemistry, 24, 2018
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6EWK
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![BU of 6ewk by Molmil](/molmil-images/mine/6ewk) | T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. | 分子名称: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | 登録日 | 2017-11-04 | 公開日 | 2018-11-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration. Chemistry, 24, 2018
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5DPZ
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![BU of 5dpz by Molmil](/molmil-images/mine/5dpz) | Endothiapepsin in complex with fragment 31 | 分子名称: | 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | 登録日 | 2015-09-14 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.328 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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5DQ2
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![BU of 5dq2 by Molmil](/molmil-images/mine/5dq2) | Endothiapepsin in complex with fragment 48 | 分子名称: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | 登録日 | 2015-09-14 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.514 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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5DQ1
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![BU of 5dq1 by Molmil](/molmil-images/mine/5dq1) | Endothiapepsin in complex with fragment 34 | 分子名称: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | 登録日 | 2015-09-14 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.489 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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7MHX
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![BU of 7mhx by Molmil](/molmil-images/mine/7mhx) | KcsA E71V closed gate with Ba2+ | 分子名称: | BARIUM ION, DIACYL GLYCEROL, Fab heavy chain, ... | 著者 | Rohaim, A, Li, J, Weingarth, M, Roux, B. | 登録日 | 2021-04-15 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MUB
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![BU of 7mub by Molmil](/molmil-images/mine/7mub) | KcsA Open gate E71V mutant in Potassium | 分子名称: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | 著者 | Rohaim, A, Li, J, Weingarth, M, Roux, B. | 登録日 | 2021-05-14 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MHR
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![BU of 7mhr by Molmil](/molmil-images/mine/7mhr) | KcsA E71V closed gate with K+ | 分子名称: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | 著者 | Rohaim, A, Li, J, Weingarth, M, Roux, B. | 登録日 | 2021-04-15 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MK6
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![BU of 7mk6 by Molmil](/molmil-images/mine/7mk6) | KcsA open gate E71V mutant with sodium | 分子名称: | Fab heavy chain, Fab light chain, pH-gated potassium channel KcsA | 著者 | Rohaim, A, Li, J, Weingarth, M, Roux, B. | 登録日 | 2021-04-21 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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7MJT
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![BU of 7mjt by Molmil](/molmil-images/mine/7mjt) | KcsA open gate E71V mutant with Barium | 分子名称: | BARIUM ION, Fab heavy chain, Fab light chain, ... | 著者 | Rohaim, A, Li, J, Weingarth, M, Roux, B. | 登録日 | 2021-04-20 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V. Nat Commun, 13, 2022
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6HRF
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![BU of 6hrf by Molmil](/molmil-images/mine/6hrf) | Straight filament from sporadic Alzheimer's disease brain | 分子名称: | Microtubule-associated protein tau | 著者 | Falcon, B, Zhang, W, Schweighauser, M, Murzin, A.G, Vidal, R, Garringer, H.J, Ghetti, B, Scheres, S.H.W, Goedert, M. | 登録日 | 2018-09-26 | 公開日 | 2018-10-10 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Tau filaments from multiple cases of sporadic and inherited Alzheimer's disease adopt a common fold. Acta Neuropathol., 136, 2018
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6HRE
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![BU of 6hre by Molmil](/molmil-images/mine/6hre) | Paired helical filament from sporadic Alzheimer's disease brain | 分子名称: | Microtubule-associated protein tau | 著者 | Falcon, B, Zhang, W, Schweighauser, M, Murzin, A.G, Vidal, R, Garringer, H.J, Ghetti, B, Scheres, S.H.W, Goedert, M. | 登録日 | 2018-09-26 | 公開日 | 2018-10-10 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Tau filaments from multiple cases of sporadic and inherited Alzheimer's disease adopt a common fold. Acta Neuropathol., 136, 2018
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1UUN
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![BU of 1uun by Molmil](/molmil-images/mine/1uun) | |
1GZU
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![BU of 1gzu by Molmil](/molmil-images/mine/1gzu) | Crystal Structure of Human Nicotinamide Mononucleotide Adenylyltransferase in Complex with NMN | 分子名称: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE | 著者 | Werner, E, Ziegler, M, Lerner, F, Schweiger, M, Heinemann, U. | 登録日 | 2002-06-06 | 公開日 | 2002-07-05 | 最終更新日 | 2018-06-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of human nicotinamide mononucleotide adenylyltransferase in complex with NMN. FEBS Lett., 516, 2002
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4FNG
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![BU of 4fng by Molmil](/molmil-images/mine/4fng) | The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina | 分子名称: | E3 alpha-esterase-7 caboxylesterase | 著者 | Jackson, C.J, Liu, J.-W, Carr, P.D, Younis, F, Pandey, G, Coppin, C, Meirelles, T, Ollis, D.L, Tawfik, D.S, Weik, M, Oakeshott, J.G. | 登録日 | 2012-06-19 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure and function of an insect alpha-carboxylesterase ( alpha Esterase7) associated with insecticide resistance. Proc.Natl.Acad.Sci.USA, 110, 2013
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4FNM
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![BU of 4fnm by Molmil](/molmil-images/mine/4fnm) | The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina | 分子名称: | DIETHYL HYDROGEN PHOSPHATE, E3 alpha-esterase-7 carboxylesterase | 著者 | Jackson, C.J, Liu, J.-W, Carr, P.D, Younis, F, Pandey, G, Coppin, C, Meirelles, T, Ollis, D.L, Tawfik, D.S, Weik, M, Oakeshott, J.G. | 登録日 | 2012-06-20 | 公開日 | 2013-12-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.804 Å) | 主引用文献 | Structure and function of an insect alpha-carboxylesterase ( alpha Esterase7) associated with insecticide resistance. Proc.Natl.Acad.Sci.USA, 110, 2013
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7R36
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![BU of 7r36 by Molmil](/molmil-images/mine/7r36) | Difference-refined structure of fatty acid photodecarboxylase 2 microsecond following 400-nm laser irradiation of the dark-state determined by SFX | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | 著者 | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | 登録日 | 2022-02-06 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R33
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![BU of 7r33 by Molmil](/molmil-images/mine/7r33) | Difference-refined structure of fatty acid photodecarboxylase 20 ps following 400-nm laser irradiation of the dark-state determined by SFX | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | 著者 | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | 登録日 | 2022-02-06 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R34
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![BU of 7r34 by Molmil](/molmil-images/mine/7r34) | Difference-refined structure of fatty acid photodecarboxylase 900 ps following 400-nm laser irradiation of the dark-state determined by SFX | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | 著者 | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | 登録日 | 2022-02-06 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7S0N
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![BU of 7s0n by Molmil](/molmil-images/mine/7s0n) | Structure of MS3494 from Mycobacterium Smegmatis determined by Solution NMR | 分子名称: | Secreted protein | 著者 | Kent, J.E, Tian, Y, Shin, K, Zhang, L, Niederweis, M, Marassi, F.M. | 登録日 | 2021-08-30 | 公開日 | 2021-10-06 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of MS3494 from Mycobacterium Smegmatis To Be Published
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4OO9
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![BU of 4oo9 by Molmil](/molmil-images/mine/4oo9) | Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mavoglurant, Metabotropic glutamate receptor 5, ... | 著者 | Dore, A.S, Okrasa, K, Patel, J.C, Serrano-Vega, M, Bennett, K, Cooke, R.M, Errey, J.C, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, G.R, Marshall, F.H. | 登録日 | 2014-01-31 | 公開日 | 2014-07-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain. Nature, 511, 2014
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4W1P
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![BU of 4w1p by Molmil](/molmil-images/mine/4w1p) | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 5.54 MGy TEMP 150K | 分子名称: | DIETHYL HYDROGEN PHOSPHATE, E3 | 著者 | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | 登録日 | 2014-08-14 | 公開日 | 2015-08-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography Structure, 24, 2016
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