7O70
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![BU of 7o70 by Molmil](/molmil-images/mine/7o70) | KRasG12C ligand complex | 分子名称: | 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, CALCIUM ION, GTPase KRas, ... | 著者 | Phillips, C. | 登録日 | 2021-04-12 | 公開日 | 2022-04-20 | 最終更新日 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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1BWZ
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7OCQ
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![BU of 7ocq by Molmil](/molmil-images/mine/7ocq) | NADH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Tam, H.K, Mueller, V, Pos, K.M. | 登録日 | 2021-04-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation. Proc.Natl.Acad.Sci.USA, 119, 2022
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7O5M
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![BU of 7o5m by Molmil](/molmil-images/mine/7o5m) | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803 cocrystallized with adenosine in the presence of Na+ cations | 分子名称: | ADENOSINE, Adenosylhomocysteinase, CHLORIDE ION, ... | 著者 | Malecki, P.H, Imiolczyk, B, Barciszewski, J, Czyrko-Horczak, J, Brzezinski, K. | 登録日 | 2021-04-08 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Biochemical and structural insights into an unusual, alkali-metal-independent S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803. Acta Crystallogr D Struct Biol, 78, 2022
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4UXS
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![BU of 4uxs by Molmil](/molmil-images/mine/4uxs) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ... | 著者 | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | 登録日 | 2014-08-27 | 公開日 | 2014-09-24 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (7 Å) | 主引用文献 | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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7OCN
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![BU of 7ocn by Molmil](/molmil-images/mine/7ocn) | Crystal structure of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ... | 著者 | Tam, H.K, Mueller, V, Pos, K.M. | 登録日 | 2021-04-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation. Proc.Natl.Acad.Sci.USA, 119, 2022
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4UY1
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![BU of 4uy1 by Molmil](/molmil-images/mine/4uy1) | Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors | 分子名称: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H. | 登録日 | 2014-08-28 | 公開日 | 2014-10-15 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening Bioorg.Med.Chem.Lett., 24, 2014
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7OCR
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![BU of 7ocr by Molmil](/molmil-images/mine/7ocr) | NADPH and fructose-6-phosphate bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Tam, H.K, Mueller, V, Pos, K.M. | 登録日 | 2021-04-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation. Proc.Natl.Acad.Sci.USA, 119, 2022
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7O4N
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![BU of 7o4n by Molmil](/molmil-images/mine/7o4n) | Structure of Staphylococcus aureus m1A22-tRNA methyltransferase in complex with S-adenosylmethionine | 分子名称: | GLYCEROL, S-ADENOSYLMETHIONINE, tRNA (Adenine(22)-N(1))-methyltransferase | 著者 | Gloster, T.M, Czekster, C.M, da Silva, R.G. | 登録日 | 2021-04-06 | 公開日 | 2022-04-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK. J.Biol.Chem., 298, 2022
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4V0X
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![BU of 4v0x by Molmil](/molmil-images/mine/4v0x) | The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-684) | 分子名称: | MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT | 著者 | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | 登録日 | 2014-09-18 | 公開日 | 2015-03-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases. Elife, 4, 2015
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7OCP
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![BU of 7ocp by Molmil](/molmil-images/mine/7ocp) | NADPH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Tam, H.K, Mueller, V, Pos, K.M. | 登録日 | 2021-04-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation. Proc.Natl.Acad.Sci.USA, 119, 2022
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7O83
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![BU of 7o83 by Molmil](/molmil-images/mine/7o83) | KRasG12C ligand complex | 分子名称: | 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Phillips, C, Breed, J. | 登録日 | 2021-04-14 | 公開日 | 2022-04-20 | 最終更新日 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C . J.Med.Chem., 65, 2022
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4W4M
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7OCT
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![BU of 7oct by Molmil](/molmil-images/mine/7oct) | NADPH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A from Acinetobacter baumannii | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Tam, H.K, Mueller, V, Pos, K.M. | 登録日 | 2021-04-28 | 公開日 | 2022-04-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation. Proc.Natl.Acad.Sci.USA, 119, 2022
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4W4T
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![BU of 4w4t by Molmil](/molmil-images/mine/4w4t) | The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway | 分子名称: | ACETATE ION, MxaA | 著者 | Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J. | 登録日 | 2014-08-15 | 公開日 | 2015-08-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.845 Å) | 主引用文献 | Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols. Chem.Biol., 22, 2015
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7T25
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![BU of 7t25 by Molmil](/molmil-images/mine/7t25) | OspA-Fab 319-44 complex structure | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 319-44 Fab heavy chain, ... | 著者 | Rudolph, M.J. | 登録日 | 2021-12-03 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural analysis of OspA-31944 complex To Be Published
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4W4X
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![BU of 4w4x by Molmil](/molmil-images/mine/4w4x) | JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | 分子名称: | 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | 著者 | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | 登録日 | 2014-08-15 | 公開日 | 2015-02-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
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7OCS
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![BU of 7ocs by Molmil](/molmil-images/mine/7ocs) | Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-D16A from Acinetobacter baumannii | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Tam, H.K, Mueller, V, Pos, K.M. | 登録日 | 2021-04-28 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation. Proc.Natl.Acad.Sci.USA, 119, 2022
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4W5C
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![BU of 4w5c by Molmil](/molmil-images/mine/4w5c) | Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide). | 分子名称: | 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ... | 著者 | Tochowicz, A, McKerrow, J.H, Craik, C.S. | 登録日 | 2014-08-17 | 公開日 | 2015-04-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.27 Å) | 主引用文献 | Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease. To Be Published
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7O4M
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![BU of 7o4m by Molmil](/molmil-images/mine/7o4m) | Structure of Staphylococcus aureus m1A22-tRNA methyltransferase | 分子名称: | CITRIC ACID, GLYCEROL, tRNA (Adenine(22)-N(1))-methyltransferase | 著者 | Gloster, T.M, Czekster, C.M, da Silva, R.G. | 登録日 | 2021-04-06 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m 1 A22-tRNA methyltransferase TrmK. J.Biol.Chem., 298, 2022
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7OCU
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![BU of 7ocu by Molmil](/molmil-images/mine/7ocu) | Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A from Acinetobacter baumannii | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Tam, H.K, Mueller, V, Pos, K.M. | 登録日 | 2021-04-28 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation. Proc.Natl.Acad.Sci.USA, 119, 2022
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7QYN
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![BU of 7qyn by Molmil](/molmil-images/mine/7qyn) | Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | 分子名称: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | 著者 | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | 登録日 | 2022-01-28 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase. Chemistry, 28, 2022
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7NYQ
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![BU of 7nyq by Molmil](/molmil-images/mine/7nyq) | Crystal structure of the Mei-P26 NHL domain | 分子名称: | Meiotic P26, isoform C | 著者 | Salerno-Kochan, A, Gaik, M, Medenbach, J, Glatt, S. | 登録日 | 2021-03-23 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Molecular insights into RNA recognition and gene regulation by the TRIM-NHL protein Mei-P26. Life Sci Alliance, 5, 2022
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1BP8
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![BU of 1bp8 by Molmil](/molmil-images/mine/1bp8) | 4:2:1 mithramycin:Mg++:d(ACCCGGGT)2 complex | 分子名称: | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-METHYL-ANTHRACENE, 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose-(1-3)-2,6-dideoxy-beta-D-galactopyranose-(1-3)-beta-D-Olivopyranose, 5'-D(*AP*CP*CP*CP*GP*GP*GP*T)-3', ... | 著者 | Keniry, M.A, Owen, E.A, Shafer, R.H. | 登録日 | 1998-08-13 | 公開日 | 1999-08-16 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | The three-dimensional structure of the 4:1 mithramycin:d(ACCCGGGT)2 complex: evidence for an interaction between the E saccharides Biopolymers, 54, 2000
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7O92
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![BU of 7o92 by Molmil](/molmil-images/mine/7o92) | |