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PDB: 1160 件

7V1U
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Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
著者Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y.
登録日2021-08-06
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
4R7I
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Crystal structure of FMS kinase domain with a small molecular inhibitor, GLEEVEC
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y, Zhang, C.
登録日2014-08-27
公開日2015-08-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor.
N Engl J Med, 373, 2015
2IIK
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Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
分子名称: 3-ketoacyl-CoA thiolase, peroxisomal
著者Papagrigoriou, E, Johansson, C, Smee, C, Kavanagh, K, Pike, A.C.W, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-09-28
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
TO BE PUBLISHED
5FPU
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Crystal structure of human JARID1B in complex with GSKJ1
分子名称: 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Srikannathasan, V, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
4DGF
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Structure of SulP Transporter STAS Domain from Wolinella Succinogenes Refined to 1.6 Angstrom Resolution
分子名称: CHLORIDE ION, FORMIC ACID, SULFATE TRANSPORTER SULFATE TRANSPORTER FAMILY PROTEIN
著者Keller, J.P, Chang, C, Tesar, C, Bearden, J, Dallos, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-01-25
公開日2012-02-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of SulP Transporter STAS Domain from Wolinella Succinogenes Refined to 1.6 Angstrom Resolution
To be Published
2IWO
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12th PDZ domain of Multiple PDZ Domain Protein MPDZ
分子名称: MULTIPLE PDZ DOMAIN PROTEIN
著者Elkins, J.M, Yang, X, Gileadi, C, Schoch, G, Johansson, C, Savitsky, P, Berridge, G, Smee, C.E.A, Turnbull, A, Pike, A, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A.
登録日2006-07-03
公開日2006-07-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions.
Protein Sci., 16, 2007
2WZ9
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Crystal structure of the thioredoxin domain of human TXNL2
分子名称: GLUTAREDOXIN-3
著者Vollmar, M, Johannson, C, Cocking, R, Pike, A.C.W, Muniz, J.R.C, Edwards, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Kavanagh, K.L.
登録日2009-11-25
公開日2010-03-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Thioredoxin Domain of Human Txnl2
To be Published
2IWP
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12th PDZ domain of Multiple PDZ Domain Protein MPDZ
分子名称: MULTIPLE PDZ DOMAIN PROTEIN
著者Elkins, J.M, Yang, X, Gileadi, C, Schoch, G, Johansson, C, Savitsky, P, Berridge, G, Smee, C.E.A, Turnbull, A, Pike, A, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A.
登録日2006-07-03
公開日2006-07-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extension.
Protein Sci., 16, 2007
2RDM
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BU of 2rdm by Molmil
Crystal structure of response regulator receiver protein from Sinorhizobium medicae WSM419
分子名称: GLYCEROL, Response regulator receiver protein
著者Patskovsky, Y, Yan, Q, Zhan, C, Toro, R, Meyer, A.J, Gilmore, M, Hu, S, Groshong, C, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-09-24
公開日2007-10-09
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of response regulator receiver protein from Sinorhizobium medicae WSM419.
To be Published
2J1L
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Crystal Structure of Human Rho-related GTP-binding protein RhoD
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RHO-RELATED GTP-BINDING PROTEIN RHOD
著者Pike, A.C.W, Johansson, C, Gileadi, C, Niesen, F.H, Sobott, F, Schoch, G, Elkins, J, Smee, C, Gorrec, F, Watt, S, Bray, J, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.
登録日2006-08-14
公開日2006-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of Human Rho-Related GTP-Binding Protein Rhod
To be Published
2WYG
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BU of 2wyg by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs
分子名称: (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN
著者Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J.
登録日2009-11-16
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
7XWQ
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BU of 7xwq by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWR
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BU of 7xwr by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.164 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWP
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BU of 7xwp by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XVZ
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BU of 7xvz by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-25
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
2YAN
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BU of 2yan by Molmil
Crystal structure of the second glutaredoxin domain of human TXNL2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Vollmar, M, Johansson, C, Cocking, R, Muniz, J.R.C, Krojer, T, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
登録日2011-02-23
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Second Glutaredoxin Domain of Human Txnl2
To be Published
2Y7X
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The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs
分子名称: 6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
著者Watson, N.S, Adams, C, Belton, D, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Harling, J.D, Irving, W.R, Irvine, S, Kleanthous, S, McLay, I.M, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Young, R.J.
登録日2011-02-02
公開日2011-03-16
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Potent and Long-Acting Oral Factor Xa Inhibitors with Tetrahydroisoquinoline and Benzazepine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
1HYE
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CRYSTAL STRUCTURE OF THE MJ0490 GENE PRODUCT, THE FAMILY OF LACTATE/MALATE DEHYDROGENASE, DIMERIC STRUCTURE
分子名称: L-LACTATE/MALATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lee, B.I, Chang, C, Cho, S.-J, Suh, S.W.
登録日2001-01-19
公開日2001-04-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the MJ0490 gene product of the hyperthermophilic archaebacterium Methanococcus jannaschii, a novel member of the lactate/malate family of dehydrogenases.
J.Mol.Biol., 307, 2001
1HYG
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Crystal structure of MJ0490 gene product, the family of lactate/malate dehydrogenase
分子名称: L-LACTATE/MALATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lee, B.I, Chang, C, Cho, S.-J, Suh, S.W.
登録日2001-01-19
公開日2001-04-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the MJ0490 gene product of the hyperthermophilic archaebacterium Methanococcus jannaschii, a novel member of the lactate/malate family of dehydrogenases
J.Mol.Biol., 307, 2001
2YPD
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BU of 2ypd by Molmil
Crystal structure of the Jumonji domain of human Jumonji domain containing 1C protein
分子名称: 2-(ETHYLMERCURI-THIO)-BENZOIC ACID, PROBABLE JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROT EIN 2C, SODIUM ION
著者Vollmar, M, Johansson, C, Krojer, T, Berridge, G, Burgess-Brown, N, Strain-Damerell, C, Froese, S, Williams, E, Goubin, S, Coutandin, D, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2012-10-30
公開日2012-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Jumonji Domain of Human Jumonji Domain Containing 1C Protein
To be Published
7V9M
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Cryo-EM structure of the GHRH-bound human GHRHR splice variant 1 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Chen, X, Yang, D.H, Wang, M.W.
登録日2021-08-26
公開日2021-10-20
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
3PFT
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BU of 3pft by Molmil
Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii
分子名称: FLAVIN MONONUCLEOTIDE, Flavin reductase
著者Li, Q, Xu, P, Ma, C, Gu, L, Liu, X, Zhang, C, Li, N, Su, J, Li, B, Liu, S.
登録日2010-10-29
公開日2011-11-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献The flavin reductase DSZD from a desulfurizing mycobacterium goodii strain: systemic manipulation and investigation based on the crystal structure
To be Published
3CYN
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BU of 3cyn by Molmil
The structure of human GPX8
分子名称: GLYCEROL, Probable glutathione peroxidase 8, SULFATE ION
著者Kavanagh, K.L, Johansson, C, Yue, W.W, Kochan, G, Pike, A.C.W, Murray, J, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-04-25
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of human GPX8
To be Published
5FYI
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Crystal structure of human JMJD2A in complex with pyruvate
分子名称: (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2016-03-07
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Crystal Structure of Human Jmjd2A in Complex with Pyruvate
To be Published
5FYH
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Crystal structure of human JMJD2A in complex with fumarate
分子名称: 1,2-ETHANEDIOL, FUMARIC ACID, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
登録日2016-03-07
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Crystal Structure of Human Jmjd2A in Complex with Fumarate
To be Published

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