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7HVP
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BU of 7hvp by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR
分子名称: HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365)
著者Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A.
登録日1990-09-13
公開日1993-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
5LBM
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BU of 5lbm by Molmil
The asymmetric tetrameric structure of the formaldehyde sensing transcriptional repressor FrmR from Escherichia coli
分子名称: FORMYL GROUP, Transcriptional repressor FrmR
著者Bisson, C, Baker, P.J, Green, J, Chivers, P.T.
登録日2016-06-16
公開日2016-12-21
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The mechanism of a formaldehyde-sensing transcriptional regulator.
Sci Rep, 6, 2016
1ZUJ
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BU of 1zuj by Molmil
The crystal structure of the Lactococcus lactis MG1363 DpsA protein
分子名称: hypothetical protein Llacc01001955
著者Stillman, T.J, Upadhyay, M, Norte, V.A, Sedelnikova, S.E, Carradus, M, Tzokov, S, Bullough, P.A, Shearman, C.A, Gasson, M.J, Williams, C.H, Artymiuk, P.J, Green, J.
登録日2005-05-31
公開日2005-08-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding.
Mol.Microbiol., 57, 2005
1ZS3
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BU of 1zs3 by Molmil
The crystal structure of the Lactococcus lactis MG1363 DpsB protein
分子名称: Lactococcus lactis MG1363 DpsA
著者Stillman, T.J, Upadhyay, M, Norte, V.A, Sedelnikova, S.E, Carradus, M, Tzokov, S, Bullough, P.A, Shearman, C.A, Gasson, M.J, Williams, C.H, Artymiuk, P.J, Green, J.
登録日2005-05-23
公開日2005-08-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding.
Mol.Microbiol., 57, 2005
5OAY
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BU of 5oay by Molmil
M. tuberculosis [4Fe-4S] protein WhiB1 is a four-helix bundle that forms a NO-sensitive complex with sigmaA and regulates the major virulence factor ESX-1
分子名称: IRON/SULFUR CLUSTER, Transcriptional regulator WhiB1
著者Williamson, M.P, Green, J, Hounslow, A.M.
登録日2017-06-25
公開日2018-01-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of a Wbl protein and implications for NO sensing by M. tuberculosis.
Nat Commun, 8, 2017
2OQ1
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BU of 2oq1 by Molmil
Tandem SH2 domains of ZAP-70 with 19-mer zeta1 peptide
分子名称: LEAD (II) ION, T-cell surface glycoprotein CD3 zeta chain, Tyrosine-protein kinase ZAP-70
著者Hatada, M.H, Laird, E.R, Green, J, Morgenstern, J, Ram, M.K.
登録日2007-01-30
公開日2007-03-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for the interaction of ZAP-70 with the T-cell receptor
Nature, 377, 1995
1CSY
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BU of 1csy by Molmil
SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR
分子名称: ACETYL-THR-PTR-GLU-THR-LEU-NH2, SYK PROTEIN TYROSINE KINASE
著者Narula, S.S, Yuan, R.W, Adams, S.E, Green, O.M, Green, J, Phillips, T.B, Zydowsky, L.D, Botfield, M.C, Hatada, M.H, Laird, E.R, Zoller, M.J, Karas, J.L, Dalgarno, D.C.
登録日1995-10-03
公開日1996-11-08
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide.
Structure, 3, 1995
1CSZ
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BU of 1csz by Molmil
SYK TYROSINE KINASE C-TERMINAL SH2 DOMAIN COMPLEXED WITH A PHOSPHOPEPTIDEFROM THE GAMMA CHAIN OF THE HIGH AFFINITY IMMUNOGLOBIN G RECEPTOR, NMR
分子名称: ACETYL-THR-PTR-GLU-THR-LEU-NH2, SYK PROTEIN TYROSINE KINASE
著者Narula, S.S, Yuan, R.W, Adams, S.E, Green, O.M, Green, J, Phillips, T.B, Zydowsky, L.D, Botfield, M.C, Hatada, M.H, Laird, E.R, Zoller, M.J, Karas, J.L, Dalgarno, D.C.
登録日1995-10-03
公開日1996-11-08
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献Solution structure of the C-terminal SH2 domain of the human tyrosine kinase Syk complexed with a phosphotyrosine pentapeptide.
Structure, 3, 1995
1L5J
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BU of 1l5j by Molmil
CRYSTAL STRUCTURE OF E. COLI ACONITASE B.
分子名称: ACONITATE ION, Aconitate hydratase 2, FE3-S4 CLUSTER
著者Williams, C.H, Stillman, T.J, Barynin, V.V, Sedelnikova, S.E, Tang, Y, Green, J, Guest, J.R, Artymiuk, P.J.
登録日2002-03-07
公開日2002-06-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献E. coli aconitase B structure reveals a HEAT-like domain with implications for protein-protein recognition.
Nat.Struct.Biol., 9, 2002
1QOY
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BU of 1qoy by Molmil
E.coli Hemolysin E (HlyE, ClyA, SheA)
分子名称: HEMOLYSIN E, SULFATE ION
著者Wallace, A.J, Stillman, T.J, Atkins, A, Jamieson, S.J, Bullough, P.A, Green, J, Artymiuk, P.J.
登録日1999-11-25
公開日2000-01-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献E. Coli Hemolysin E (Hlye, Clya, Shea): X-Ray Crystal Structure of the Toxin and Observation of Membrane Pores by Electron Microscopy
Cell(Cambridge,Mass.), 100, 2000
2OT5
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BU of 2ot5 by Molmil
Crystal structure of the HIV gp41 core with the enfuvirtide resistance mutation N43D
分子名称: HIV-1 gp41 glycoprotein
著者Bai, X, Seedorff, J.E, Green, J, Dwyer, J.J.
登録日2007-02-07
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
4YVE
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BU of 4yve by Molmil
ROCK 1 bound to methoxyphenyl thiazole inhibitor
分子名称: 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1
著者Jacobs, M.D.
登録日2015-03-19
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
4YVC
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BU of 4yvc by Molmil
ROCK 1 bound to thiazole inhibitor
分子名称: 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide, Rho-associated protein kinase 1
著者Jacobs, M.D.
登録日2015-03-19
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
5BML
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BU of 5bml by Molmil
ROCK 1 bound to a pyridine thiazole inhibitor
分子名称: N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1
著者Jacobs, M.D.
登録日2015-05-22
公開日2015-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
3L1S
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BU of 3l1s by Molmil
3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3
分子名称: (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
著者Haar, T.E.
登録日2009-12-14
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta.
Bioorg.Med.Chem.Lett., 20, 2010
7RCU
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BU of 7rcu by Molmil
Synthetic Max homodimer mimic in complex with DNA
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 2-(2,5-dioxopyrrolidin-1-yl)acetamide, ACETAMIDE, ...
著者Speltz, T, Qiao, Z, Shangguan, S, Fanning, S, Greene, J, Moellering, R.
登録日2021-07-08
公開日2022-09-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Targeting MYC with modular synthetic transcriptional repressors derived from bHLH DNA-binding domains.
Nat.Biotechnol., 41, 2023
5KKT
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BU of 5kkt by Molmil
ROCK 1 bound to azaindole thiazole piperazine inhibitor
分子名称: 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1
著者Jacobs, M.D.
登録日2016-06-22
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
5KKS
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ROCK 1 bound to azaindole thiazole inhibitor
分子名称: 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1
著者Jacobs, M.D.
登録日2016-06-22
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
3I5Z
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BU of 3i5z by Molmil
Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION
著者Jacobs, M.D, Xie, X.
登録日2009-07-06
公開日2010-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3I4B
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BU of 3i4b by Molmil
Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor
分子名称: Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
著者Ter Haar, E.
登録日2009-07-01
公開日2010-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3I60
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BU of 3i60 by Molmil
Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
分子名称: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Jacobs, M.D, Xie, X.
登録日2009-07-06
公開日2010-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
5HVU
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BU of 5hvu by Molmil
Rho-associated protein kinase 1 (ROCK 1) in complex with a pyridine thiazole piperidine inhibitor
分子名称: 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1
著者Jacobs, M.J.
登録日2016-01-28
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献ROCK inhibitors 2. Improving potency, selectivity and solubility through the application of rationally designed solubilizing groups.
Bioorg. Med. Chem. Lett., 2018
5UZK
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BU of 5uzk by Molmil
Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor
分子名称: 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Jacobs, M.D, Brown, K.
登録日2017-02-26
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5UZJ
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BU of 5uzj by Molmil
Crystal Structure of ROCK1 bound to an aminopyridine inhibitor
分子名称: N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1
著者Jacobs, M.D.
登録日2017-02-26
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6MB0
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BU of 6mb0 by Molmil
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-1002
分子名称: 1,2-ETHANEDIOL, 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-08-29
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019

 

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