7XNC
 
 | | MEK1 bound to DS94070624 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | 登録日 | 2022-04-28 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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6IMX
 | | Crystal structure of V30M mutated transthyretin in complex with 18-Crown-6 | | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Transthyretin | | 著者 | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | | 登録日 | 2018-10-24 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | | 主引用文献 | Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
J. Med. Chem., 62, 2019
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5O8M
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1DY2
 | | Murine collagen alpha1(XV), endostatin domain | | 分子名称: | COLLAGEN ALPHA1(XV) CHAIN, SULFATE ION | | 著者 | Tisi, D, Hohenester, E, Sasaki, T, Timpl, R. | | 登録日 | 2000-01-21 | | 公開日 | 2001-01-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Endostatin Derived from Collagens Xv and Xviii Differ in Structural and Binding Properties, Tissue Distribution and Anti-Angiogenic Activity
J.Mol.Biol., 301, 2000
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1DV6
 | | PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR ZN2+ | | 分子名称: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CHLORIDE ION, ... | | 著者 | Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G. | | 登録日 | 2000-01-19 | | 公開日 | 2000-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Determination of the binding sites of the proton transfer inhibitors Cd2+ and Zn2+ in bacterial reaction centers.
Proc.Natl.Acad.Sci.USA, 97, 2000
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2ZNO
 | | Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703 | | 分子名称: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Oyama, T, Waku, T, Kasuga, J, Miyachi, H, Morikawa, K. | | 登録日 | 2008-04-30 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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3A6J
 | | E122Q mutant creatininase complexed with creatine | | 分子名称: | Creatinine amidohydrolase, N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE, SULFATE ION, ... | | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | | 登録日 | 2009-09-02 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase
J.Mol.Biol., 396, 2010
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3A6D
 | | Creatininase complexed with 1-methylguanidine | | 分子名称: | 1-METHYLGUANIDINE, Creatinine amidohydrolase, MANGANESE (II) ION, ... | | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | | 登録日 | 2009-08-31 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase
J.Mol.Biol., 396, 2010
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7VHZ
 | | Crystal structure of EP300 HAT domain in complex with compound 7 | | 分子名称: | (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | | 著者 | Takahashi, M, Hanzawa, H. | | 登録日 | 2021-09-24 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
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7VHY
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7VI0
 | | Crystal structure of EP300 HAT domain in complex with compound 11 | | 分子名称: | (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION | | 著者 | Takahashi, M, Hanzawa, H. | | 登録日 | 2021-09-24 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
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1RFP
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3A6H
 | | W154A mutant creatininase | | 分子名称: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | | 登録日 | 2009-08-31 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase
J.Mol.Biol., 396, 2010
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3A6L
 | | E122Q mutant creatininase, Zn-Zn type | | 分子名称: | CHLORIDE ION, Creatinine amidohydrolase, ZINC ION | | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | | 登録日 | 2009-09-02 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase
J.Mol.Biol., 396, 2010
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7EA4
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7EBY
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2ZNN
 | | Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703 | | 分子名称: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha | | 著者 | Oyama, T, Toyota, K, Kasuga, J, Miyachi, H, Morikawa, K. | | 登録日 | 2008-04-30 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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2ZNQ
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401 | | 分子名称: | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | | 著者 | Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. | | 登録日 | 2008-04-30 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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2ZNP
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204 | | 分子名称: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | | 著者 | Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. | | 登録日 | 2008-04-30 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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7XAR
 | | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | | 分子名称: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | 著者 | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | | 登録日 | 2022-03-18 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
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3A6F
 | | W174F mutant creatininase, Type II | | 分子名称: | CACODYLATE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | | 登録日 | 2009-08-31 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase
J.Mol.Biol., 396, 2010
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3A6G
 | | W154F mutant creatininase | | 分子名称: | Creatinine amidohydrolase, MANGANESE (II) ION, ZINC ION | | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | | 登録日 | 2009-08-31 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase
J.Mol.Biol., 396, 2010
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4PFK
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3A6E
 | | W174F mutant creatininase, type I | | 分子名称: | CACODYLATE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | | 登録日 | 2009-08-31 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase
J.Mol.Biol., 396, 2010
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3A6K
 | | The E122Q mutant creatininase, Mn-Zn type | | 分子名称: | CHLORIDE ION, Creatinine amidohydrolase, MANGANESE (II) ION, ... | | 著者 | Nakajima, Y, Yamashita, K, Ito, K, Yoshimoto, T. | | 登録日 | 2009-09-02 | | 公開日 | 2010-02-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Substitution of Glu122 by glutamine revealed the function of the second water molecule as a proton donor in the binuclear metal enzyme creatininase
J.Mol.Biol., 396, 2010
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