5ZM9
 
 | | Crystal structure of hexacoordinated heme protein from anhydrobiotic tardigrade at pH 7 | | 分子名称: | CHLORIDE ION, Globin Protein, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Kim, J, Fukuda, Y, Inoue, T. | | 登録日 | 2018-04-02 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of Kumaglobin: a hexacoordinated heme protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus.
FEBS J., 286, 2019
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7LEI
 | | HIV-1 Protease WT (NL4-3) in Complex with PU10 (LR4-07) | | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.943 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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8FK2
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5ZN4
 | | X-ray structure of protein kinase ck2 alpha subunit H148N mutant | | 分子名称: | Casein kinase II subunit alpha, SULFATE ION | | 著者 | Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M. | | 登録日 | 2018-04-07 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
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5VRP
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6DWN
 | | Structure of Human Cytochrome P450 1A1 with Erlotinib | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Bart, A.G, Scott, E.E. | | 登録日 | 2018-06-26 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
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7LE3
 | | HIV-1 Protease WT (NL4-3) in Complex with UMass5 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LE7
 | | HIV-1 Protease WT (NL4-3) in Complex with GS-8374 | | 分子名称: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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6DCL
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7LED
 | | HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78) | | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.996 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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4POL
 | | Crystal structures of thioredoxin with mesna at 2.8A resolution | | 分子名称: | 1-THIOETHANESULFONIC ACID, Thioredoxin | | 著者 | Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. | | 登録日 | 2014-02-26 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | BNP7787 Forms Novel Covalent
Adducts on Human Thioredoxin
and Modulates Thioredoxin
Activity
J Pharmacol Clin Toxicol, 2, 2014
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5VZP
 | | Sperm whale myoglobin H64Q with nitric oxide | | 分子名称: | GLYCEROL, Myoglobin, NITRIC OXIDE, ... | | 著者 | Wang, B, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2017-05-29 | | 公開日 | 2018-06-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
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4POU
 | | VHH-metal in Complex with RNase A | | 分子名称: | Ribonuclease pancreatic, VHH Antibody | | 著者 | Fanning, S.W, Walter, R, Horn, J.R. | | 登録日 | 2014-02-26 | | 公開日 | 2014-09-24 | | 最終更新日 | 2014-10-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis of an engineered dual-specific antibody: conformational diversity leads to a hypervariable loop metal-binding site.
Protein Eng.Des.Sel., 27, 2014
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7LEB
 | | HIV-1 Protease WT (NL4-3) in Complex with PU2 (LR2-79) | | 分子名称: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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6DFM
 | | Crystal structure of human GRP78 in complex with 8-aminoadenosine | | 分子名称: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Endoplasmic reticulum chaperone BiP | | 著者 | Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W. | | 登録日 | 2018-05-15 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Crystal structure of human GRP78 in complex with 8-aminoadenosine
To be Published
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7TXE
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7LEH
 | | HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80) | | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | 登録日 | 2021-01-14 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7C4S
 | | Sphingosine-1-phosphate receptor 3 with a natural ligand. | | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ... | | 著者 | Iwata, S, Maeda, S, Luo, F, Nango, E, hirata, K, Asada, H. | | 登録日 | 2020-05-18 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Endogenous agonist-bound S1PR3 structure reveals determinants of G protein-subtype bias.
Sci Adv, 7, 2021
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7U2V
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6KLN
 | | F-actin of cardiac thin filament in high-calcium state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | 著者 | Oda, T, Yanagisawa, H, Wakabayashi, T. | | 登録日 | 2019-07-30 | | 公開日 | 2020-01-15 | | 最終更新日 | 2020-03-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Cryo-EM structures of cardiac thin filaments reveal the 3D architecture of troponin.
J.Struct.Biol., 209, 2020
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6DWS
 | | Crystal structure of human GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | | 分子名称: | 8-{[(2-chlorophenyl)methyl]amino}adenosine, Endoplasmic reticulum chaperone BiP, MAGNESIUM ION | | 著者 | Chen, Y, Antoshchenko, T, Smil, D, Zepeda, C, Huang, Y, Park, H.W. | | 登録日 | 2018-06-27 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of human GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
To Be Published
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5Z33
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8F9N
 | | H64A swMb-iPrNO adduct | | 分子名称: | 2-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Herrera, V.E, Thomas, L.M. | | 登録日 | 2022-11-24 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
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6KMP
 | | 100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1 | | 分子名称: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, Protease | | 著者 | Das, A, Kovalevsky, A. | | 登録日 | 2019-07-31 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
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8F9J
 | | H64A swMb-PrNO adduct | | 分子名称: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Herrera, V.E, Thomas, L.M. | | 登録日 | 2022-11-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
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