7EWO
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![BU of 7ewo by Molmil](/molmil-images/mine/7ewo) | Crystal Structure of D67A, E68P double mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae | 分子名称: | Cysteine synthase | 著者 | Rahisuddin, R, Ekka, M.K, Singh, A.K, Saini, N, Patel, M, Kumar, N, Kumaran, S. | 登録日 | 2021-05-25 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of D67A, E68P double mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae To Be Published
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1TVZ
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![BU of 1tvz by Molmil](/molmil-images/mine/1tvz) | Crystal structure of 3-hydroxy-3-methylglutaryl-coenzyme A synthase from Staphylococcus aureus | 分子名称: | 3-hydroxy-3-methylglutaryl-CoA synthase, SULFATE ION | 著者 | Campobasso, N, Patel, M, Wilding, I.E, Kallender, H, Rosenberg, M, Gwynn, M. | 登録日 | 2004-06-30 | 公開日 | 2004-08-31 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase: crystal structure and mechanism J.Biol.Chem., 279, 2004
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1TXT
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![BU of 1txt by Molmil](/molmil-images/mine/1txt) | Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase | 分子名称: | 3-hydroxy-3-methylglutaryl-CoA synthase, ACETOACETYL-COENZYME A | 著者 | Campobasso, N, Patel, M, Wilding, I.E, Kallender, H, Rosenberg, M, Gwynn, M. | 登録日 | 2004-07-06 | 公開日 | 2004-08-31 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase: crystal structure and mechanism J.Biol.Chem., 279, 2004
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3L4C
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![BU of 3l4c by Molmil](/molmil-images/mine/3l4c) | Structural basis of membrane-targeting by Dock180 | 分子名称: | BETA-MERCAPTOETHANOL, Dedicator of cytokinesis protein 1 | 著者 | Premkumar, L, Bobkov, A.A, Patel, M, Jaroszewski, L, Bankston, L.A, Stec, B, Vuori, K, Cote, J.-F, Liddington, R.C. | 登録日 | 2009-12-18 | 公開日 | 2010-02-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural basis of membrane targeting by the Dock180 family of Rho family guanine exchange factors (Rho-GEFs). J.Biol.Chem., 285, 2010
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2VSZ
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![BU of 2vsz by Molmil](/molmil-images/mine/2vsz) | |
1D9E
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![BU of 1d9e by Molmil](/molmil-images/mine/1d9e) | STRUCTURE OF E. COLI KDO8P SYNTHASE | 分子名称: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, SULFATE ION | 著者 | Radaev, S, Dastidar, P, Patel, M, Woodard, R.W, Gatti, D.L. | 登録日 | 1999-10-27 | 公開日 | 2000-05-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure and mechanism of 3-deoxy-D-manno-octulosonate 8-phosphate synthase. J.Biol.Chem., 275, 2000
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | 登録日 | 2018-05-06 | 公開日 | 2018-08-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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2N9C
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![BU of 2n9c by Molmil](/molmil-images/mine/2n9c) | NRAS Isoform 5 | 分子名称: | GTPase NRas | 著者 | Markowitz, J, Mal, T.K, Yuan, C, Courtney, N.B, Patel, M, Stiff, A.R, Blachly, J, Walker, C, Eisfeld, A, de la Chapelle, A, Carson III, W.E. | 登録日 | 2015-11-13 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural characterization of NRAS isoform 5. Protein Sci., 25, 2016
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5TWD
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![BU of 5twd by Molmil](/molmil-images/mine/5twd) | CTX-M-14 P167S apoenzyme | 分子名称: | Beta-lactamase | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-11-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5U53
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![BU of 5u53 by Molmil](/molmil-images/mine/5u53) | CTX-M-14 E166A with acylated ceftazidime molecule | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase, NITRATE ION | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-12-06 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5TWE
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![BU of 5twe by Molmil](/molmil-images/mine/5twe) | CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-11-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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5TW6
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![BU of 5tw6 by Molmil](/molmil-images/mine/5tw6) | CTX-M-14 P167S:E166A mutant with acylated ceftazidime molecule | 分子名称: | 1,2-ETHANEDIOL, ACYLATED CEFTAZIDIME, Beta-lactamase | 著者 | Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. | 登録日 | 2016-11-11 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
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6E36
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6E3F
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![BU of 6e3f by Molmil](/molmil-images/mine/6e3f) | |
6X9I
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![BU of 6x9i by Molmil](/molmil-images/mine/6x9i) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | 著者 | Pathuri, S, Horton, J.R, Cheng, X. | 登録日 | 2020-06-02 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6X9K
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![BU of 6x9k by Molmil](/molmil-images/mine/6x9k) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | 分子名称: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | 著者 | Pathuri, S, Horton, J.R, Cheng, X. | 登録日 | 2020-06-02 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6X9J
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![BU of 6x9j by Molmil](/molmil-images/mine/6x9j) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | 著者 | Pathuri, S, Horton, J.R, Cheng, X. | 登録日 | 2020-06-02 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6DBP
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3IOX
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![BU of 3iox by Molmil](/molmil-images/mine/3iox) | Crystal Structure of A3VP1 of AgI/II of Streptococcus mutans | 分子名称: | AgI/II, CALCIUM ION, SULFITE ION, ... | 著者 | Larson, M.R, Rajashankar, K.R, Patel, M, Robinette, R, Crowley, P, Michalek, S.M, Brady, L.J, Deivanayagam, C.C. | 登録日 | 2009-08-14 | 公開日 | 2010-04-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Elongated fibrillar structure of a streptococcal adhesin assembled by the high-affinity association of alpha- and PPII-helices. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IPK
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![BU of 3ipk by Molmil](/molmil-images/mine/3ipk) | Crystal Structure of A3VP1 of AgI/II of Streptococcus mutans | 分子名称: | AgI/II, CALCIUM ION, SULFATE ION, ... | 著者 | Larson, M.R, Rajashankar, K.R, Patel, M, Robinette, R, Crowley, P, Michalek, S.M, Brady, L.J, Deivanayagam, C.C. | 登録日 | 2009-08-17 | 公開日 | 2010-03-31 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Elongated fibrillar structure of a streptococcal adhesin assembled by the high-affinity association of alpha- and PPII-helices. Proc.Natl.Acad.Sci.USA, 107, 2010
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6YUW
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![BU of 6yuw by Molmil](/molmil-images/mine/6yuw) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454 | 分子名称: | 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YV2
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![BU of 6yv2 by Molmil](/molmil-images/mine/6yv2) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598 | 分子名称: | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YXI
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![BU of 6yxi by Molmil](/molmil-images/mine/6yxi) | Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor | 分子名称: | 1,2-ETHANEDIOL, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Vecchia, L, Jones, E.Y, Ruza, R.R, Hillier, J, Zhao, Y. | 登録日 | 2020-05-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YV4
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![BU of 6yv4 by Molmil](/molmil-images/mine/6yv4) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686 | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YV0
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![BU of 6yv0 by Molmil](/molmil-images/mine/6yv0) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587 | 分子名称: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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