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5EE7
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Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, Glucagon receptor,Endolysin,Glucagon receptor, ...
著者Jazayeri, A, Dore, A.S, Lamb, D, Krishnamurthy, H, Southall, S.M, Baig, A.H, Bortolato, A, Koglin, M, Robertson, N.J, Errey, J.C, Andrews, S.P, Brown, A.J.H, Cooke, R.M, Weir, M, Marshall, F.H.
登録日2015-10-22
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Extra-helical binding site of a glucagon receptor antagonist.
Nature, 533, 2016
5YU2
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Structure of Ribonuclease YabJ
分子名称: Translation initiation inhibitor homologue
著者Kim, H.J, Kwon, A.R, Lee, B.J.
登録日2017-11-20
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A novel chlorination-induced ribonuclease YabJ fromStaphylococcus aureus.
Biosci. Rep., 38, 2018
5US1
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Crystal structure of aminoglycoside acetyltransferase AAC(2')-Ia in complex with N2'-acetylgentamicin C1A and coenzyme A
分子名称: (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, ACETYL COENZYME *A, Aminoglycoside 2'-N-acetyltransferase, ...
著者Stogios, P.J, Evdokimova, E, Xu, Z, Wawrzak, Z, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-13
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
ACS Infect Dis, 4, 2018
7CKO
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BU of 7cko by Molmil
Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate 7ACC2 in the inward-open conformation
分子名称: 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid, Basigin, Monocarboxylate transporter 1
著者Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
登録日2020-07-18
公開日2020-12-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
6WYI
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BU of 6wyi by Molmil
Crystal structure of EchA19, enoyl-CoA hydratase from Mycobacterium tuberculosis
分子名称: EchA19, enoyl-CoA hydratase, MAGNESIUM ION
著者Bonds, A.C, Garcia-Diaz, M, Sampson, N.S.
登録日2020-05-13
公開日2020-07-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.915 Å)
主引用文献Post-translational Succinylation ofMycobacterium tuberculosisEnoyl-CoA Hydratase EchA19 Slows Catalytic Hydration of Cholesterol Catabolite 3-Oxo-chol-4,22-diene-24-oyl-CoA.
Acs Infect Dis., 6, 2020
6WRM
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BU of 6wrm by Molmil
The interaction of chlorido(1,5-cyclooctadiene)([4-(2-((tert-butoxycarbonyl)amino)-3-methoxy-3-oxopropyl)-1,3-dimethyl-1H-imidazol-3-ide])rhodium(I) with HEWL after 1 month
分子名称: (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium, CHLORIDE ION, Lysozyme, ...
著者Sullivan, M.P, John, M, Hartinger, C.G, Goldstone, D.C.
登録日2020-04-29
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Combined Spectroscopic and Protein Crystallography Study Reveals Protein Interactions of Rh I (NHC) Complexes at the Molecular Level.
Inorg.Chem., 59, 2020
8FTN
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BU of 8ftn by Molmil
E. coli ArnA dehydrogenase domain mutant - N492A
分子名称: Bifunctional UDP-4-amino-4-deoxy-L-arabinose formyltransferase/UDP-glucuronic acid oxidase ArnA, SULFATE ION
著者Sousa, M.C, Mitchell, M.E.
登録日2023-01-12
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Targeting the Conformational Change in ArnA Dehydrogenase for Selective Inhibition of Polymyxin Resistance.
Biochemistry, 62, 2023
5ELN
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BU of 5eln by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine
分子名称: 1,2-ETHANEDIOL, GLYCEROL, LYSINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-11-04
公開日2016-11-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
4I50
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BU of 4i50 by Molmil
Crystal structure of tubulin-stathmin-TTL-Epothilone A complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Prota, A.E, Bargsten, K, Zurwerra, D, Field, J.J, Diaz, J.F, Altmann, K.H, Steinmetz, M.O.
登録日2012-11-28
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents.
Science, 339, 2013
5V6C
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BU of 5v6c by Molmil
Crystal Structure of the Second beta-Prism Domain of RbmC from V. cholerae
分子名称: GLYCEROL, Hemolysin-related protein
著者De, S, Kaus, K, Sinclair, S, Case, B.C, Olson, R.
登録日2017-03-16
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of mammalian glycan targeting by Vibrio cholerae cytolysin and biofilm proteins.
PLoS Pathog., 14, 2018
7C60
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BU of 7c60 by Molmil
Crystal structure of Keap1 in complex with monoethyl fumarate (MEF)
分子名称: (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Padmanabhan, B, Unni, S, Deshmukh, P, Krishnappa, G.
登録日2020-05-21
公開日2020-08-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
6WP9
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BU of 6wp9 by Molmil
AvaR1 bound to Avenolide
分子名称: (5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one, AvaR1
著者Kapoor, I, Olivares, P.J, Nair, S.K.
登録日2020-04-26
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
7UKW
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BU of 7ukw by Molmil
EGFR(T790M/V948R) in complex with Lazertinib (YH25448)
分子名称: Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide
著者Pham, C.D, Heppner, D.E.
登録日2022-04-02
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
Acs Med.Chem.Lett., 13, 2022
6X18
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BU of 6x18 by Molmil
GLP-1 peptide hormone bound to Glucagon-Like peptide-1 (GLP-1) Receptor
分子名称: Glucagon, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Belousoff, M.J, Zhang, X, Danev, R.
登録日2020-05-18
公開日2020-09-09
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
7CAB
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BU of 7cab by Molmil
Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-12-16
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
8G1Z
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BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
分子名称: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
4I55
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BU of 4i55 by Molmil
Crystal structure of tubulin-stathmin-TTL complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Prota, A.E, Bargsten, K, Zurwerra, D, Field, J.J, Diaz, J.F, Altmann, K.H, Steinmetz, M.O.
登録日2012-11-28
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular Mechanism of Action of Microtubule-Stabilizing Anticancer Agents.
Science, 339, 2013
8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
分子名称: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
5ESB
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BU of 5esb by Molmil
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir
分子名称: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, SULFATE ION, ...
著者Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A.
登録日2015-11-16
公開日2016-11-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
5ULG
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BU of 5ulg by Molmil
Crystal structure of RPE65 in complex with MB-008 and palmitate
分子名称: (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol, FE (II) ION, PALMITIC ACID, ...
著者Kiser, P.D, Palczewski, K.
登録日2017-01-24
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
7CM1
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BU of 7cm1 by Molmil
Neuraminidase from the Wuhan Asiatic toad influenza virus
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Wang, J.
登録日2020-07-23
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Lattice-translocation defects in specific crystals of the catalytic head domain of influenza neuraminidase.
Acta Crystallogr D Struct Biol, 76, 2020
7UUY
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BU of 7uuy by Molmil
Structure of the sodium/iodide symporter (NIS)
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sodium/iodide cotransporter
著者Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N.
登録日2022-04-29
公開日2022-12-21
最終更新日2023-01-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
7UUZ
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Structure of the sodium/iodide symporter (NIS) in complex with perrhenate and sodium
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, PERRHENATE, SODIUM ION, ...
著者Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N.
登録日2022-04-29
公開日2022-12-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into the mechanism of the sodium/iodide symporter.
Nature, 612, 2022
5ZH1
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Crystal structure of NDM-1 at pH7.5 (Imidazole) with 2 molecules per asymmetric unit
分子名称: HYDROXIDE ION, IMIDAZOLE, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5Z31
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BU of 5z31 by Molmil
LPS bound solution structure of WS2-KG18
分子名称: LYS-ASN-LYS-SER-ARG-VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY
著者Bhunia, A, Mohid, S.A.
登録日2018-01-05
公開日2019-02-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy.
Colloids Surf B Biointerfaces, 176, 2019

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