1TMN
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2ZBG
| Calcium pump crystal structure with bound AlF4 and TG in the absence of calcium | Descriptor: | MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | Authors: | Toyoshima, C, Ogawa, H, Norimatsu, Y. | Deposit date: | 2007-10-20 | Release date: | 2007-12-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump Proc.Natl.Acad.Sci.Usa, 104, 2007
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5JZQ
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5YE4
| Crystal structure of the complex of di-acetylated histone H4 and 1A9D7 Fab fragment | Descriptor: | 1A9D7 L chain, 1A9D7 VH CH1 chain, ZINC ION, ... | Authors: | Matsuda, T, Ito, T, Wakamori, M, Umehara, T. | Deposit date: | 2017-09-15 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states. Epigenetics, 13, 2018
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5YE3
| Crystal structure of the complex of di-acetylated histone H4 and 2A7D9 Fab fragment | Descriptor: | 2A7D9 L chain, 2A7D9 VH CH1 chain, di-acetylated histone H4 | Authors: | Matsuda, T, Ito, T, Wakamori, M, Umehara, T. | Deposit date: | 2017-09-15 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states. Epigenetics, 13, 2018
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3AQO
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1KJU
| Ca2+-ATPase in the E2 State | Descriptor: | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1a | Authors: | Xu, C, Rice, W.J, He, W, Stokes, D.L. | Deposit date: | 2001-12-05 | Release date: | 2001-12-19 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | A structural model for the catalytic cycle of Ca(2+)-ATPase. J.Mol.Biol., 316, 2002
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7DEN
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Mima, M, Ushiyama, F, Takashima, H. | Deposit date: | 2020-11-04 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532. Bioorg.Med.Chem., 30, 2020
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7DEL
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Mima, M, Ushiyama, F, Tanaka-Yamamoto, N. | Deposit date: | 2020-11-04 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532. Bioorg.Med.Chem., 30, 2020
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7DEM
| Crystal structure of P.aeruginosa LpxC in complex with inhibitor | Descriptor: | 5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Mima, M, Ushiyama, F, Matsuda, Y. | Deposit date: | 2020-11-04 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532. Bioorg.Med.Chem., 30, 2020
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2ZBF
| Calcium pump crystal structure with bound BeF3 and TG in the absence of calcium | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | Toyoshima, C, Ogawa, H, Norimatsu, Y. | Deposit date: | 2007-10-20 | Release date: | 2007-12-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | How processing of aspartylphosphate is coupled to lumenal gating of the ion pathway in the calcium pump Proc.Natl.Acad.Sci.Usa, 104, 2007
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7W7V
| 'late' E2P of SERCA2b | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | Authors: | Zhang, Y, Watanabe, S, Tsutsumi, A, Inaba, K. | Deposit date: | 2021-12-06 | Release date: | 2022-12-14 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Multiple sub-state structures of SERCA2b reveal conformational overlap at transition steps during the catalytic cycle. Cell Rep, 41, 2022
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7W7U
| The 'Ca2+-unbound' BeF3- of SERCA2b | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | Authors: | Zhang, Y, Watanabe, S, Tsutsumi, A, Inaba, K. | Deposit date: | 2021-12-06 | Release date: | 2022-12-14 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Multiple sub-state structures of SERCA2b reveal conformational overlap at transition steps during the catalytic cycle. Cell Rep, 41, 2022
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7W7W
| E2 Pi of SERCA2b | Descriptor: | MAGNESIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 2, TETRAFLUOROALUMINATE ION | Authors: | Zhang, Y, Watanabe, S, Tsutsumi, A, Inaba, K. | Deposit date: | 2021-12-06 | Release date: | 2022-12-14 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Multiple sub-state structures of SERCA2b reveal conformational overlap at transition steps during the catalytic cycle. Cell Rep, 41, 2022
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7W7T
| The E1-BeF3- 2Ca2+ of SERCA2b | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Zhang, Y, Watanabe, S, Tsutsumi, A, Inaba, K. | Deposit date: | 2021-12-06 | Release date: | 2022-12-14 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Multiple sub-state structures of SERCA2b reveal conformational overlap at transition steps during the catalytic cycle. Cell Rep, 41, 2022
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2ZBE
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3FSM
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2ZYE
| Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | Deposit date: | 2009-01-20 | Release date: | 2009-03-24 | Last modified: | 2024-05-29 | Method: | NEUTRON DIFFRACTION (1.9 Å) | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography. Proc.Natl.Acad.Sci.USA, 2009
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3LHM
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2ZDU
| Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | Descriptor: | 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10 | Authors: | Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A. | Deposit date: | 2007-11-27 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1) Bioorg.Med.Chem., 16, 2008
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3HAU
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3HBO
| Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease | Descriptor: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2009-05-04 | Release date: | 2010-05-26 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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2ZDT
| Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor | Descriptor: | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10 | Authors: | Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A. | Deposit date: | 2007-11-27 | Release date: | 2008-09-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2) Bioorg.Med.Chem., 16, 2008
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3HAW
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1ROM
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