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4ER1
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THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
著者Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-10-14
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
4JSJ
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Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-03-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4JSF
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Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-03-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
3QAQ
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Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 1
分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-11
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011
2FJP
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BU of 2fjp by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
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, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ...
著者Scapin, G, Patel, S.B, Becker, J.W.
登録日2006-01-03
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
2K3K
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BU of 2k3k by Molmil
Solution structure of Drosophila melanogaster SNF RBD1
分子名称: U1 small nuclear ribonucleoprotein A
著者Liu, C, Cui, G, Hu, J, Jin, C, Xia, B.
登録日2008-05-12
公開日2008-06-03
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural and Functional Studies of RNA Splicing Factor Sans-Fille by Multidimentional NMR Spectroscopy
To be Published
3GX9
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Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD
分子名称: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase
著者Lafite, P, Scrutton, N.S, Leys, D.
登録日2009-04-02
公開日2009-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure
Chembiochem, 10, 2009
2LQ6
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BU of 2lq6 by Molmil
Solution structure of BRD1 PHD2 finger
分子名称: Bromodomain-containing protein 1, ZINC ION
著者Liu, L, Wu, J.
登録日2012-02-25
公開日2012-10-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of an atypical PHD finger in BRPF2 and its interaction with DNA
J.Struct.Biol., 180, 2012
2LCC
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BU of 2lcc by Molmil
Solution structure of RBBP1 chromobarrel domain
分子名称: AT-rich interactive domain-containing protein 4A
著者Gong, W, Feng, Y.
登録日2011-04-28
公開日2012-02-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insight into recognition of methylated histone tails by retinoblastoma-binding protein 1.
J.Biol.Chem., 2012
1DCC
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2.2 ANGSTROM STRUCTURE OF OXYPEROXIDASE: A MODEL FOR THE ENZYME:PEROXIDE COMPLEX
分子名称: CYTOCHROME C PEROXIDASE, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Miller, M.A, Shaw, A, Kraut, J.
登録日1994-06-01
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献2.2 A structure of oxy-peroxidase as a model for the transient enzyme: peroxide complex.
Nat.Struct.Biol., 1, 1994
4JSE
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BU of 4jse by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-03-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
5OTA
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BU of 5ota by Molmil
Structure of the periplasmic binding protein (PBP) NocT from Agrobacterium tumefaciens C58 in complex with octopinic acid
分子名称: (2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid, 1,2-ETHANEDIOL, Nopaline-binding periplasmic protein
著者Vigouroux, A, Morera, S.
登録日2017-08-21
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
1SZT
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BU of 1szt by Molmil
ATOMIC STRUCTURE OF A THERMOSTABLE SUBDOMAIN OF HIV-1 GP41
分子名称: HIV-1 ENVELOPE GLYCOPROTEIN GP41
著者Tan, K, Lu, M, Wang, J.-H.
登録日1997-07-28
公開日1997-12-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Atomic structure of a thermostable subdomain of HIV-1 gp41.
Proc.Natl.Acad.Sci.USA, 94, 1997
5OT8
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Structure of the periplasmic binding protein (PBP) NocT-G97S mutant from A. tumefaciens C58 in complex with octopine.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Vigouroux, A, Morera, S.
登録日2017-08-21
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
5OTC
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Structure of the periplasmic binding protein (PBP) NocT from Agrobacterium tumefaciens C58 in complex with noroctopinic acid.
分子名称: (2~{S})-5-azanyl-2-(2-hydroxy-2-oxoethylamino)pentanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Vigouroux, A, Morera, S.
登録日2017-08-21
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
1J2X
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BU of 1j2x by Molmil
Crystal structure of RAP74 C-terminal domain complexed with FCP1 C-terminal peptide
分子名称: RNA polymerase II CTD phosphatase, SULFATE ION, Transcription initiation factor IIF, ...
著者Kamada, K, Roeder, R.G, Burley, S.K.
登録日2003-01-15
公開日2003-01-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular mechanism of recruitment of TFIIF- associating RNA polymerase C-terminal domain phosphatase (FCP1) by transcription factor IIF
Proc.Natl.Acad.Sci.USA, 100, 2003
5OT9
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Structure of the periplasmic binding protein (PBP) NocT from A.tumefaciens C58 in complex with histopine.
分子名称: 1,2-ETHANEDIOL, Histopine, Nopaline-binding periplasmic protein
著者Vigouroux, A, Morera, S.
登録日2017-08-21
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for high specificity of octopine binding in the plant pathogen Agrobacterium tumefaciens.
Sci Rep, 7, 2017
3VD8
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Crystal structure of human AIM2 PYD domain with MBP fusion
分子名称: 1,2-ETHANEDIOL, Maltose-binding periplasmic protein, Interferon-inducible protein AIM2, ...
著者Jin, T.C, Perry, A, Smith, P, Xiao, T.S.
登録日2012-01-04
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.0685 Å)
主引用文献Structure of the Absent in Melanoma 2 (AIM2) Pyrin Domain Provides Insights into the Mechanisms of AIM2 Autoinhibition and Inflammasome Assembly.
J.Biol.Chem., 288, 2013
5NPP
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2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
分子名称: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
著者Bax, B.D, Chan, P.F, Stavenger, R.A.
登録日2017-04-18
公開日2017-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7JXL
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EGFR kinase (T790M/V948R) in complex with AZ5104
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
著者Beyett, T.S, Eck, M.J.
登録日2020-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7JXP
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EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Beyett, T.S, Eck, M.J.
登録日2020-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7JXM
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EGFR kinase (T790M/V948R) in complex with osimertinib and EAI045
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Beyett, T.S, Eck, M.J.
登録日2020-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7K1I
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EGFR kinase (L858R/V948R) in complex with allosteric inhibitor JBJ-09-063
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Beyett, T.S, Eck, M.J.
登録日2020-09-07
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7K1H
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EGFR L858R/V948R in complex with osimertinib and allosteric inhibitor JBJ-09-063
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Beyett, T.S, Eck, M.J.
登録日2020-09-07
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7JXK
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EGFR kinase (T790M/V948R) in complex with PF-06747775 and JBJ-04-125-02
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Beyett, T.S, Eck, M.J.
登録日2020-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022

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