6LLW
 
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6JD4
 | | ATPase | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ESX-1 secretion system protein EccCb1, MAGNESIUM ION | | 著者 | Wang, S.H, Li, J, Rao, Z.H. | | 登録日 | 2019-01-31 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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5Z1T
 | | Crystal Structure Analysis of the BRD4(1) | | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C. | | 登録日 | 2017-12-28 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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8XR3
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7BVH
 | | Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose | | 分子名称: | CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ... | | 著者 | Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H. | | 登録日 | 2020-04-10 | | 公開日 | 2020-04-29 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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8XR2
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7BVF
 | | Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | | 分子名称: | CALCIUM ION, CARDIOLIPIN, Ethambutol, ... | | 著者 | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | 登録日 | 2020-04-10 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVC
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol | | 分子名称: | 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ... | | 著者 | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | 登録日 | 2020-04-10 | | 公開日 | 2020-04-29 | | 最終更新日 | 2020-07-01 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BVE
 | | Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol | | 分子名称: | CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ... | | 著者 | Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z. | | 登録日 | 2020-04-10 | | 公開日 | 2020-04-29 | | 最終更新日 | 2020-07-01 | | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | | 主引用文献 | Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
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7BX8
 | | Mycobacterium smegmatis arabinosyltransferase complex EmbB2-AcpM2 in symmetric "resting state" | | 分子名称: | Integral membrane indolylacetylinositol arabinosyltransferase EmbB, Meromycolate extension acyl carrier protein | | 著者 | Gao, R.G, Zhang, L, Wang, Q, Rao, Z.H. | | 登録日 | 2020-04-17 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2.
Protein Cell, 11, 2020
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6LLG
 | | Crystal Structure of Fagopyrum esculentum M UGT708C1 | | 分子名称: | BENZAMIDINE, SULFATE ION, UDP-glycosyltransferase 708C1 | | 著者 | Wang, X, Liu, M. | | 登録日 | 2019-12-23 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Plant Cell, 32, 2020
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2MVT
 | | Solution structure of scoloptoxin SSD609 from Scolopendra mutilans | | 分子名称: | Scoloptoxin SSD609 | | 著者 | Wu, F, Sun, P, Wang, C, He, Y, Zhang, L, Tian, C. | | 登録日 | 2014-10-14 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A distinct three-helix centipede toxin SSD609 inhibits Iks channels by interacting with the KCNE1 auxiliary subunit.
Sci Rep, 5, 2015
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6J19
 | | ATPase | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ESAT-6-like protein EsxB, ESX-1 secretion system protein EccCb1, ... | | 著者 | Wang, S.H, Li, J, Rao, Z.H. | | 登録日 | 2018-12-28 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | | 主引用文献 | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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6J18
 | | ATPase | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ESX-5 secretion system protein EccC5, MAGNESIUM ION | | 著者 | Wang, S.H, Li, J, Rao, Z.H. | | 登録日 | 2018-12-28 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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6JD5
 | | ATPase | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ESX conserved component EccC2. ESX-2 type VII secretion system protein. Possible membrane protein, MAGNESIUM ION | | 著者 | Wang, S.H, Li, J, Rao, Z.H. | | 登録日 | 2019-01-31 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural insights into substrate recognition by the type VII secretion system.
Protein Cell, 11, 2020
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5TTS
 | | Jak3 with covalent inhibitor 4 | | 分子名称: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | | 著者 | Vajdos, F.F. | | 登録日 | 2016-11-04 | | 公開日 | 2017-02-22 | | 最終更新日 | 2017-03-22 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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5TTV
 | | Jak3 with covalent inhibitor 6 | | 分子名称: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | | 著者 | Vajdos, F.F. | | 登録日 | 2016-11-04 | | 公開日 | 2017-02-22 | | 最終更新日 | 2017-03-22 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
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4NP4
 | | Clostridium difficile toxin B CROP domain in complex with FAB domains of neutralizing antibody bezlotoxumab | | 分子名称: | Toxin B, bezlotoxumab heavy chain, bezlotoxumab light chain | | 著者 | Orth, P, Xiao, L, Hernandez, L.D, Reichert, P, Sheth, P, Beaumont, M, Murgolo, N, Ermakov, G, DiNunzio, E, Racine, F, Karczewski, J, Secore, S, Ingram, R.N, Mayhood, T, Strickland, C, Therien, A.G. | | 登録日 | 2013-11-20 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Mechanism of Action and Epitopes of Clostridium difficile Toxin B-neutralizing Antibody Bezlotoxumab Revealed by X-ray Crystallography.
J.Biol.Chem., 289, 2014
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4NJC
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5U8L
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7W1N
 | | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP | | 分子名称: | 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase | | 著者 | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | | 登録日 | 2021-11-19 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
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7W44
 | | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP | | 分子名称: | 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase | | 著者 | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | | 登録日 | 2021-11-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
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7W45
 | | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP | | 分子名称: | CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION | | 著者 | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | | 登録日 | 2021-11-26 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
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5U3B
 | | Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Sprague, E.R. | | 登録日 | 2016-12-01 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC.
J. Med. Chem., 60, 2017
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2OC7
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | | 分子名称: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | | 著者 | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | 登録日 | 2006-12-20 | | 公開日 | 2007-07-31 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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