5MXV
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1107112A at 1.63A resolution | 分子名称: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide, HTH-type transcriptional regulator EthR | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | 登録日 | 2017-01-24 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.626 Å) | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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6P99
| OXA-48 carbapanemase, ertapenem complex | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | 著者 | Smith, C.A, Vakulenko, S.B. | 登録日 | 2019-06-10 | 公開日 | 2019-08-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase. Antimicrob.Agents Chemother., 63, 2019
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6P9I
| crystal structure of human anti staphylococcus aureus antibody STAU-399 Fab | 分子名称: | human anti staphylococcus aureus antibody STAU-399 Fab heavy chain, human anti staphylococcus aureus antibody STAU-399 Fab light chain | 著者 | Dong, J, Crowe, J.E. | 登録日 | 2019-06-10 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis. Mbio, 10, 2019
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8T5W
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6P3U
| Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335 | 分子名称: | 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2019-05-24 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis. Acs Infect Dis., 5, 2019
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6PE9
| Crystal Structure of CD40 complexed to FAB516 | 分子名称: | FAB Heavy chain, FAB Light chain, SULFATE ION, ... | 著者 | Argiriadi, M.A. | 登録日 | 2019-06-20 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches. BMC Mol Cell Biol, 20, 2019
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6PGR
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5MVR
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5MMO
| E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester | 分子名称: | DNA gyrase subunit B, PHOSPHATE ION, prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate | 著者 | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | 登録日 | 2016-12-12 | 公開日 | 2017-04-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
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8T1D
| Open-state cryo-EM structure of full-length human TRPV4 in complex with agonist 4a-PDD | 分子名称: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera | 著者 | Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-06-02 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Structure of human TRPV4 in complex with GTPase RhoA. Nat Commun, 14, 2023
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8T1F
| Cryo-EM structure of full-length human TRPV4 in complex with antagonist HC-067047 | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-methyl-1-[3-(morpholin-4-yl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera | 著者 | Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-06-02 | 公開日 | 2023-07-05 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | Structure of human TRPV4 in complex with GTPase RhoA. Nat Commun, 14, 2023
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8T1B
| Cryo-EM structure of full-length human TRPV4 in apo state | 分子名称: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4/Enhanced green fluorescent protein chimera, ... | 著者 | Nadezhdin, K.D, Talyzina, I.A, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-06-02 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structure of human TRPV4 in complex with GTPase RhoA. Nat Commun, 14, 2023
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6PRF
| HIV-1 Protease multiple drug resistant clinical isolate mutant PR20 with GRL-14213A | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease, YTTRIUM ION | 著者 | Kneller, D.W, Agniswamy, J, Weber, I.T. | 登録日 | 2019-07-10 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Potent antiviral HIV-1 protease inhibitor combats highly drug resistant mutant PR20. Biochem.Biophys.Res.Commun., 519, 2019
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8T1E
| Closed-state cryo-EM structure of full-length human TRPV4 in the presence of 4a-PDD | 分子名称: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4,Enhanced green fluorescent protein, ... | 著者 | Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-06-02 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | 主引用文献 | Structure of human TRPV4 in complex with GTPase RhoA. Nat Commun, 14, 2023
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8T1C
| Cryo-EM structure of human TRPV4 ankyrin repeat domain in complex with GTPase RhoA | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4-Enhanced green fluorescent protein chimera | 著者 | Nadezhdin, K.D, Talyzina, I.A, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-06-02 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | 主引用文献 | Structure of human TRPV4 in complex with GTPase RhoA. Nat Commun, 14, 2023
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5MY9
| Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS935 | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | 著者 | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | 登録日 | 2017-01-26 | 公開日 | 2017-03-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.327 Å) | 主引用文献 | Structural interface between LRRK2 and 14-3-3 protein. Biochem. J., 474, 2017
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5MYL
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1570606A at 1.72A resolution | 分子名称: | 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | 登録日 | 2017-01-27 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.724 Å) | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MXX
| Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, ... | 著者 | Tallant, C, Redondo, C, Batson, J, Toop, H.D, Babaebi-Jadidib, R, Savitsky, P, Elkins, J.M, Newman, J.A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bates, D.O, Morris, J.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2017-01-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease. ACS Chem. Biol., 12, 2017
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5MY8
| Crystal structure of SRPK1 in complex with SPHINX31 | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2017-01-25 | 公開日 | 2017-05-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease. ACS Chem. Biol., 12, 2017
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5MX3
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6P9B
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5UHY
| A Human Antibody Against Zika Virus Crosslinks the E Protein to Prevent Infection | 分子名称: | ZV67 Fab chain 1, ZV67 Fab chain 2, envelope protein | 著者 | Hasan, S.S, Miller, A, Sapparapu, G, Fernandez, E, Klose, T, Long, F, Fokine, A, Porta, J.C, Jiang, W, Diamond, M.S, Crowe Jr, J.E, Kuhn, R.J, Rossmann, M.G. | 登録日 | 2017-01-12 | 公開日 | 2017-03-29 | 最終更新日 | 2019-11-27 | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | 主引用文献 | A human antibody against Zika virus crosslinks the E protein to prevent infection. Nat Commun, 8, 2017
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5MYR
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK735816A at 1.83A resolution | 分子名称: | 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine, HTH-type transcriptional regulator EthR | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | 登録日 | 2017-01-27 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.828 Å) | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYW
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound SB-435634 at 1.77A resolution | 分子名称: | HTH-type transcriptional regulator EthR, ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine | 著者 | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | 登録日 | 2017-01-30 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYM
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK2032710A at 2.28A resolution | 分子名称: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone | 著者 | Mendes, V, Blaszczyk, M, Mugumbate, G, Blundell, T.L. | 登録日 | 2017-01-27 | 公開日 | 2017-10-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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