3VM9
 
 | | Dimeric horse myoglobin | | 分子名称: | Myoglobin, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Nagao, S, Osuka, H, Yamada, T, Uni, T, Shomura, Y, Imai, K, Higuchi, Y, Hirota, S. | | 登録日 | 2011-12-09 | | 公開日 | 2012-09-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Structural and oxygen binding properties of dimeric horse myoglobin
Dalton Trans, 41, 2012
|
|
8UDV
 | | The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17 | | 分子名称: | 1,2-ETHANEDIOL, 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, Fibroblast growth factor receptor 3, ... | | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | 登録日 | 2023-09-29 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.348 Å) | | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
|
|
8UDU
 | | The X-RAY co-crystal structure of human FGFR3 and Compound 17 | | 分子名称: | 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, CHLORIDE ION, Fibroblast growth factor receptor 3 | | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | 登録日 | 2023-09-29 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
|
|
8UDT
 | | The X-RAY co-crystal structure of human FGFR3 and KIN-3248 | | 分子名称: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3 | | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | 登録日 | 2023-09-29 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.829 Å) | | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
|
|
3AAA
 | | Crystal Structure of Actin capping protein in complex with V-1 | | 分子名称: | F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2, ISOPROPYL ALCOHOL, ... | | 著者 | Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y. | | 登録日 | 2009-11-12 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Two distinct mechanisms for actin capping protein regulation--steric and allosteric inhibition
Plos Biol., 8, 2010
|
|
3AA7
 | | Crystal structure of Actin capping protein | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARIUM ION, F-actin-capping protein subunit alpha-1, ... | | 著者 | Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y. | | 登録日 | 2009-11-11 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Two distinct mechanisms for actin capping protein regulation--steric and allosteric inhibition
Plos Biol., 8, 2010
|
|
3AAE
 | | Crystal structure of Actin capping protein in complex with CARMIL fragment | | 分子名称: | 32mer peptide from Leucine-rich repeat-containing protein 16A, F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2 | | 著者 | Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y. | | 登録日 | 2009-11-16 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Two distinct mechanisms for the regulation of actin capping protein-competitive or allosteric inhibitions
To be Published
|
|
3AA0
 | | Crystal structure of Actin Capping Protein in complex with the Cp-binding motif derived from CARMIL | | 分子名称: | 21mer peptide from Leucine-rich repeat-containing protein 16A, CARBONATE ION, F-actin-capping protein subunit alpha-1, ... | | 著者 | Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y. | | 登録日 | 2009-11-11 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Two distinct mechanisms for actin capping protein regulation--steric and allosteric inhibition
Plos Biol., 8, 2010
|
|
3AA1
 | | Crystal structure of Actin capping protein in complex with the Cp-binding motif derived from CKIP-1 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 23mer peptide from Pleckstrin homology domain-containing family O member 1, F-actin-capping protein subunit alpha-1, ... | | 著者 | Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y. | | 登録日 | 2009-11-11 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Two distinct mechanisms for actin capping protein regulation--steric and allosteric inhibition
Plos Biol., 8, 2010
|
|
3AA6
 | | Crystal structure of Actin capping protein in complex with the Cp-binding motif derived from CD2AP | | 分子名称: | 23mer peptide from CD2-associated protein, BARIUM ION, F-actin-capping protein subunit alpha-1, ... | | 著者 | Takeda, S, Minakata, S, Narita, A, Kitazawa, M, Yamakuni, T, Maeda, Y, Nitanai, Y. | | 登録日 | 2009-11-11 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Two distinct mechanisms for actin capping protein regulation--steric and allosteric inhibition
Plos Biol., 8, 2010
|
|
6W4K
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | | 分子名称: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | 著者 | Hosfield, D.J. | | 登録日 | 2020-03-11 | | 公開日 | 2020-10-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
J.Med.Chem., 63, 2020
|
|
8F5F
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | 分子名称: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | 登録日 | 2022-11-14 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.149 Å) | | 主引用文献 | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
|
|
8F5J
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | 分子名称: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | 登録日 | 2022-11-14 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | | 主引用文献 | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
|
|
8F5S
 | | human branched chain ketoacid dehydrogenase kinase in complex with inhibitors | | 分子名称: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Liu, S, Roth Flach, R, Bollinger, E, Filipski, K. | | 登録日 | 2022-11-15 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.793 Å) | | 主引用文献 | Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
|
|
5IID
 | | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one | | 分子名称: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one, Protein polybromo-1 | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S. | | 登録日 | 2016-03-01 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
|
|
5II1
 | | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one | | 分子名称: | 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-03-01 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
|
|
5VGI
 | | Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352 | | 分子名称: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | 著者 | Hosfield, D.J. | | 登録日 | 2017-04-11 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
|
|
5VMP
 | | Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714 | | 分子名称: | 3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | 著者 | Hosfield, D.J. | | 登録日 | 2017-04-28 | | 公開日 | 2017-09-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
|
|
5II2
 | | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one | | 分子名称: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CITRIC ACID, POTASSIUM ION, ... | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S. | | 登録日 | 2016-03-01 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
|
|
5HRX
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | 分子名称: | 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | | 著者 | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | 登録日 | 2016-01-24 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
|
|
5HRW
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | 分子名称: | 1,2-ETHANEDIOL, 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1, ... | | 著者 | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | 登録日 | 2016-01-24 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
|
|
5HRV
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | 分子名称: | 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | | 著者 | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | 登録日 | 2016-01-24 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
|
|
1BBC
 | | STRUCTURE OF RECOMBINANT HUMAN RHEUMATOID ARTHRITIC SYNOVIAL FLUID PHOSPHOLIPASE A2 AT 2.2 ANGSTROMS RESOLUTION | | 分子名称: | PHOSPHOLIPASE A2 | | 著者 | Wery, J.-P, Schevitz, R.W, Clawson, D.K, Bobbitt, J.L, Dow, E.R, Gamboa, G, Goodsonjunior, T, Hermann, R.B, Kramer, R.M, Mcclure, D.B, Mihelich, E.D, Putnam, J.E, Sharp, J.D, Stark, D.H, Teater, C, Warrick, M.W, Jones, N.D. | | 登録日 | 1992-05-04 | | 公開日 | 1993-10-31 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of recombinant human rheumatoid arthritic synovial fluid phospholipase A2 at 2.2 A resolution.
Nature, 352, 1991
|
|
1YJD
 | | Crystal structure of human CD28 in complex with the Fab fragment of a mitogenic antibody (5.11A1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment of 5.11A1 antibody heavy chain, Fab fragment of 5.11A1 antibody light chain, ... | | 著者 | Evans, E.J, Esnouf, R.M, Manso-Sancho, R, Gilbert, R.J.C, James, J.R, Sorensen, P, Stuart, D.I, Davis, S.J. | | 登録日 | 2005-01-14 | | 公開日 | 2005-02-15 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of a soluble CD28-Fab complex
Nat.Immunol., 6, 2005
|
|
7ZNR
 | |
