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PDB: 36 件

6P4V
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1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-05-28
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6PGR
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Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
分子名称: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-06-24
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6WL6
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Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
分子名称: 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2020-04-18
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6WKZ
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BU of 6wkz by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
分子名称: 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2020-04-17
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6CKX
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Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
分子名称: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
著者Klein, M.G.
登録日2018-03-01
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
1PXY
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BU of 1pxy by Molmil
Crystal structure of the actin-crosslinking core of Arabidopsis fimbrin
分子名称: fimbrin-like protein
著者Klein, M.G, Shi, W, Tseng, Y, Wirtz, D, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2003-07-07
公開日2004-06-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
1RT8
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BU of 1rt8 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-CROSSLINKING CORE OF SCHIZOSACCHAROMYCES POMBE FIMBRIN
分子名称: SULFATE ION, fimbrin
著者Klein, M.G, Shi, W, Ramagopal, U, Tseng, Y, Wirtz, D, Kovar, D.R, Staiger, C.J, Almo, S.C.
登録日2003-12-10
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the actin crosslinking core of fimbrin.
Structure, 12, 2004
5INH
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Crystal structure of Autotaxin/ENPP2 with a covalent fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Klein, M.G, Tjhen, R.
登録日2016-03-07
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
3F56
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BU of 3f56 by Molmil
The structure of a previously undetected carboxysome shell protein: CsoS1D from Prochlorococcus marinus MED4
分子名称: CsoS1D
著者Klein, M.G, Zwart, P, Kerfeld, C.A.
登録日2008-11-03
公開日2009-06-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Identification and structural analysis of a novel carboxysome shell protein with implications for metabolite transport.
J.Mol.Biol., 392, 2009
5UNP
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BU of 5unp by Molmil
Structure of CDC2-Like Kinase 2 (CLK2) in Complex with Compound T-025 [N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine]
分子名称: Dual specificity protein kinase CLK2, N~2~-methyl-N~4~-[(pyrimidin-2-yl)methyl]-5-(quinolin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
著者Klein, M.G, Tjhen, R.
登録日2017-01-31
公開日2018-05-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献A novel CLK inhibitor exhibits anti-tumor efficacies via modulating pre-mRNA splicing and targeting a MYC-dependent vulnerability
Embo Mol Med, 2018
5URM
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BU of 5urm by Molmil
Crystal structure of human BRR2 in complex with T-1206548
分子名称: 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Klein, M.G, Tjhen, R, Qin, L.
登録日2017-02-11
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URJ
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BU of 5urj by Molmil
Crystal structure of human BRR2 in complex with T-3905516
分子名称: 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
著者Klein, M.G, Tjhen, R, Qin, L.
登録日2017-02-10
公開日2017-07-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
1AV5
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BU of 1av5 by Molmil
PKCI-SUBSTRATE ANALOG
分子名称: PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PROTEIN KINASE C INTERACTING PROTEIN
著者Lima, C.D, Klein, M.G, Hendrickson, W.A.
登録日1997-09-25
公開日1998-03-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
6FIT
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BU of 6fit by Molmil
FHIT-TRANSITION STATE ANALOG
分子名称: ADENOSINE MONOTUNGSTATE, FRAGILE HISTIDINE TRIAD PROTEIN
著者Lima, C.D, Klein, M.G, Hendrickson, W.A.
登録日1997-09-25
公開日1998-03-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
4FIT
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BU of 4fit by Molmil
FHIT-APO
分子名称: FRAGILE HISTIDINE TRIAD PROTEIN
著者Lima, C.D, Klein, M.G, Hendrickson, W.A.
登録日1997-09-25
公開日1998-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
3MG2
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BU of 3mg2 by Molmil
Crystal structure of the orange carotenoid protein Y44S mutant from cyanobacteria synechocystis sp. PCC 6803
分子名称: Orange carotenoid protein, beta,beta-caroten-4-one
著者Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A.
登録日2010-04-05
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria.
J.Biol.Chem., 285, 2010
3MG1
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BU of 3mg1 by Molmil
Crystal structure of the orange carotenoid protein from cyanobacteria Synechocystis sp. PCC 6803
分子名称: GLYCEROL, Orange carotenoid protein, beta,beta-caroten-4-one
著者Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A.
登録日2010-04-05
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria.
J.Biol.Chem., 285, 2010
3MG3
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BU of 3mg3 by Molmil
Crystal structure of the orange carotenoid protein R155L mutant from cyanobacteria synechocystis sp. PCC 6803
分子名称: GLYCEROL, Orange carotenoid-binding protein, beta,beta-caroten-4-one
著者Wilson, A, Kinney, J, Zwart, P.H, Punginelli, C, D'Haen, S, Perreau, F, Klein, M.G, Kirilovsky, D, Kerfeld, C.A.
登録日2010-04-05
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structural determinants underlying photoprotection in the photoactive orange carotenoid protein of cyanobacteria.
J.Biol.Chem., 285, 2010
3BGW
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BU of 3bgw by Molmil
The Structure Of A DnaB-Like Replicative Helicase And Its Interactions With Primase
分子名称: DNAB-Like Replicative Helicase
著者Wang, G, Klein, M.G, Tokonzaba, E, Zhang, Y, Holden, L.G, Chen, X.S.
登録日2007-11-27
公開日2007-12-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.91 Å)
主引用文献The structure of a DnaB-family replicative helicase and its interactions with primase.
Nat.Struct.Mol.Biol., 15, 2008
3BH0
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BU of 3bh0 by Molmil
ATPase Domain of G40P
分子名称: DNAB-LIKE REPLICATIVE HELICASE
著者Wang, G, Klein, M.G, Tokonzaba, E, Zhang, Y, Holden, L.G, Chen, X.S.
登録日2007-11-27
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The structure of a DnaB-family replicative helicase and its interactions with primase.
Nat.Struct.Mol.Biol., 15, 2008
6N3L
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BU of 6n3l by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6N3N
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BU of 6n3n by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
6N3O
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Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
分子名称: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2
著者Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
登録日2018-11-15
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
4ZYO
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BU of 4zyo by Molmil
Crystal Structure of Human Integral Membrane Stearoyl-CoA Desaturase with Substrate
分子名称: Acyl-CoA desaturase, DODECYL-BETA-D-MALTOSIDE, STEAROYL-COENZYME A, ...
著者Wang, H, Klein, M.G, Lane, W, Snell, G, Levin, I, Li, K, Zou, H, Sang, B.-C.
登録日2015-05-21
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of human stearoyl-coenzyme A desaturase in complex with substrate.
Nat.Struct.Mol.Biol., 22, 2015
1KPE
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BU of 1kpe by Molmil
PKCI-TRANSITION STATE ANALOG
分子名称: ADENOSINE-5'-DITUNGSTATE, PROTEIN KINASE C INTERACTING PROTEIN
著者Lima, C.D, Klein, M.G, Hendrickson, W.A.
登録日1997-09-25
公開日1998-03-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997

 

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