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5AGN
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BU of 5agn by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid
分子名称: (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
4L23
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BU of 4l23 by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-04
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
6BQK
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BU of 6bqk by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
分子名称: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, NS3 protease, ZINC ION
著者Klei, H.E, Sack, J.S.
登録日2017-11-28
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
5GO4
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BU of 5go4 by Molmil
Truncated mitofusin-1, nucleotide-free
分子名称: Mitofusin-1
著者Cao, Y.L, Gao, S.
登録日2016-07-26
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
5GOF
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BU of 5gof by Molmil
Truncated mitofusin-1, GTP-bound
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitofusin-1, ...
著者Cao, Y.L, Gao, S.
登録日2016-07-26
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
7V4R
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BU of 7v4r by Molmil
The crystal structure of KFDV NS3H bound with Pi
分子名称: NICKEL (II) ION, PHOSPHATE ION, Serine protease NS3
著者Zhang, C.Y, Jin, T.C.
登録日2021-08-14
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kyasanur Forest disease virus NS3 helicase: Insights into structure, activity, and inhibitors.
Int.J.Biol.Macromol., 2023
5AGL
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BU of 5agl by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid
分子名称: (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-02-02
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
8W9M
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BU of 8w9m by Molmil
Cryo-EM structure of the cyanobacterial nitrate transporter NrtBCD in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nitrate transport ATP-binding protein, ...
著者Li, B, Zhou, C.Z, Chen, Y.X, Jiang, Y.L.
登録日2023-09-05
公開日2024-02-28
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Allosteric regulation of nitrate transporter NRT via the signaling protein PII.
Proc.Natl.Acad.Sci.USA, 121, 2024
8WM8
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BU of 8wm8 by Molmil
Cryo-EM structure of cyanobacterial nitrate/nitrite transporter NrtBCD in complex with nitrate
分子名称: NITRATE ION, Nitrate transport ATP-binding protein, Nitrate transport permease protein
著者Li, B, Zhou, C.Z, Chen, Y.X, Jiang, Y.L.
登録日2023-10-03
公開日2024-02-28
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Allosteric regulation of nitrate transporter NRT via the signaling protein PII.
Proc.Natl.Acad.Sci.USA, 121, 2024
5Y4B
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BU of 5y4b by Molmil
Solution structure of yeast Fra2
分子名称: BolA-like protein 2
著者Tang, Y.J, Chi, C.B, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z.
登録日2017-08-03
公開日2018-03-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3.
J. Mol. Biol., 430, 2018
6BQJ
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BU of 6bqj by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
分子名称: ACETATE ION, CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ...
著者Klei, H.E, Sack, J.S.
登録日2017-11-28
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
6BZ9
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BU of 6bz9 by Molmil
Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK
分子名称: Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER
著者Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R.
登録日2017-12-22
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5C8M
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BU of 5c8m by Molmil
EGFR kinase domain mutant "TMLR" with compound 17
分子名称: 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-25
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5CAU
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BU of 5cau by Molmil
EGFR kinase domain mutant "TMLR" with compound 41b
分子名称: (1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
2H0Q
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BU of 2h0q by Molmil
Crystal Structure of the PGM domain of the Suppressor of T-Cell receptor (Sts-1)
分子名称: Suppressor of T-cell receptor signaling 1
著者Nassar, N, Ford, B, Carpino, N.
登録日2006-05-15
公開日2007-11-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A phosphatase activity of Sts-1 contributes to the suppression of TCR signaling.
Mol.Cell, 27, 2007
5JRE
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BU of 5jre by Molmil
Crystal structure of NeC3PO in complex with ssDNA.
分子名称: 9-METHYL-9H-PURIN-6-AMINE, ADENINE, NEQ131, ...
著者Gan, J, Zhang, J.
登録日2016-05-06
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
5CAQ
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BU of 5caq by Molmil
EGFR kinase domain mutant "TMLR" with compound 33
分子名称: Epidermal growth factor receptor, N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5H8Q
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BU of 5h8q by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE8324
分子名称: 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one, ACETATE ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2015-12-23
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
5XUP
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BU of 5xup by Molmil
Crystal structure of TRF1 and TERB1
分子名称: Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1
著者Long, J, Huang, C, Wu, J, Lei, M.
登録日2017-06-24
公開日2017-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Telomeric TERB1-TRF1 interaction is crucial for male meiosis.
Nat. Struct. Mol. Biol., 24, 2017
5HCY
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BU of 5hcy by Molmil
EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13
分子名称: 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2016-01-04
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
6CWY
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BU of 6cwy by Molmil
Crystal structure of SUMO E1 in complex with an allosteric inhibitor
分子名称: GLYCEROL, MAGNESIUM ION, SULFATE ION, ...
著者Lv, Z, Yuan, L, Atkison, J.H, Williams, K.M, Olsen, S.K.
登録日2018-04-01
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.462 Å)
主引用文献Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
7XC2
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BU of 7xc2 by Molmil
Cryo EM structure of oligomeric complex formed by wheat CNL Sr35 and the effector AvrSr35 of the wheat stem rust pathogen
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Avirulence factor, CNL9
著者Alexander, F, Li, E.T, Aaron, L, Deng, Y.N, Sun, Y, Chai, J.J.
登録日2022-03-22
公開日2022-09-21
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A wheat resistosome defines common principles of immune receptor channels.
Nature, 610, 2022
5CAL
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BU of 5cal by Molmil
EGFR kinase domain mutant "TMLR" with compound 24
分子名称: 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5JRC
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BU of 5jrc by Molmil
Crystal structure of NeC3PO in complex with ssRNA.
分子名称: CALCIUM ION, NEQ131, ssRNA
著者Zhang, J, Gan, J.
登録日2016-05-06
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
6AX7
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BU of 6ax7 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
分子名称: FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase
著者Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
登録日2017-09-06
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018

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