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8YFM
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BU of 8yfm by Molmil
Crystal structure of FIP200 claw/TNIP1_FIR_pS122
分子名称: GLYCEROL, RB1-inducible coiled-coil protein 1, SULFATE ION, ...
著者Lv, M.Q, Wu, S.M.
登録日2024-02-24
公開日2024-08-14
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for TNIP1 binding to FIP200 during mitophagy.
J.Biol.Chem., 300, 2024
8YFL
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BU of 8yfl by Molmil
crystal structure of FIP200 claw/TNIP1_FIR_pS122pS123
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, RB1-inducible coiled-coil protein 1, ...
著者Lv, M.Q, Wu, S.M.
登録日2024-02-24
公開日2024-08-14
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for TNIP1 binding to FIP200 during mitophagy.
J.Biol.Chem., 300, 2024
3NKS
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BU of 3nks by Molmil
Structure of human protoporphyrinogen IX oxidase
分子名称: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Shen, Y.
登録日2010-06-21
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insight into human variegate porphyria disease
Faseb J., 25, 2011
8YFK
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BU of 8yfk by Molmil
Crystal structure of FIP200 claw/TNIP1_FIR_pS123
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, RB1-inducible coiled-coil protein 1, ...
著者Lv, M.Q, Wu, S.M.
登録日2024-02-24
公開日2024-08-14
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for TNIP1 binding to FIP200 during mitophagy.
J.Biol.Chem., 300, 2024
8XJV
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BU of 8xjv by Molmil
Structural basis for the linker histone H5-nucleosome binding and chromatin compaction
分子名称: DNA, Histone H2A, Histone H2B 1.1, ...
著者Li, W.Y, Song, F, Zhu, P.
登録日2023-12-22
公開日2024-09-11
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for linker histone H5-nucleosome binding and chromatin fiber compaction.
Cell Res., 34, 2024
7WCM
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BU of 7wcm by Molmil
Cryo-EM structure of GPR119-Gs Complex with small molecule agonist MBX-2982
分子名称: 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Qiao, A.N, Wu, S, Ye, S.
登録日2021-12-20
公開日2022-12-21
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
7WCN
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BU of 7wcn by Molmil
Cryo-EM structure of GPR119-Gs Complex with small molecule agonist AR231453
分子名称: Glucose-dependent insulinotropic receptor, 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, ...
著者Qiao, A.N, Wu, S, Ye, S.
登録日2021-12-20
公開日2022-12-21
最終更新日2022-12-28
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Activation and signaling mechanism revealed by GPR119-G s complex structures.
Nat Commun, 13, 2022
1CE9
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BU of 1ce9 by Molmil
HELIX CAPPING IN THE GCN4 LEUCINE ZIPPER
分子名称: PROTEIN (GCN4-PMSE)
著者Lu, M, Shu, W, Ji, H, Spek, E, Wang, L.-Y, Kallenbach, N.R.
登録日1999-03-18
公開日1999-03-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Helix capping in the GCN4 leucine zipper.
J.Mol.Biol., 288, 1999
6J08
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BU of 6j08 by Molmil
Crystal structure of human MAJIN and TERB2
分子名称: Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2
著者Wang, Y, Chen, Y, Wu, J, Huang, C, Lei, M.
登録日2018-12-21
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The meiotic TERB1-TERB2-MAJIN complex tethers telomeres to the nuclear envelope.
Nat Commun, 10, 2019
3H0I
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BU of 3h0i by Molmil
human Fyn SH3 domain R96I mutant, crystal form II
分子名称: Proto-oncogene tyrosine-protein kinase Fyn
著者Dumas, C, Strub, M.-P, Arold, S.T.
登録日2009-04-09
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
分子名称: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
著者Wang, X, Wang, N.
登録日2020-08-29
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWL
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BU of 7cwl by Molmil
SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
著者Wang, X, Wang, N.
登録日2020-08-29
公開日2021-01-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWM
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BU of 7cwm by Molmil
Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
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, P17 heavy chain, ...
著者Wang, N, Wang, X.
登録日2020-08-29
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
3S2A
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BU of 3s2a by Molmil
Crystal structure of PI3K-gamma in complex with a quinoline inhibitor
分子名称: N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-05-16
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
6LSA
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BU of 6lsa by Molmil
Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV
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, Envelope glycoprotein D, ...
著者Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
登録日2020-01-17
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
4AZN
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BU of 4azn by Molmil
Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag-mediated crystal packing
分子名称: FATTY ACID-BINDING PROTEIN, EPIDERMAL
著者Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
登録日2012-06-26
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4AZQ
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BU of 4azq by Molmil
Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid 2-arachidonoylglycerol
分子名称: 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate, CHLORIDE ION, FATTY ACID-BINDING PROTEIN, ...
著者Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
登録日2012-06-26
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
6AQ1
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BU of 6aq1 by Molmil
The crystal structure of human FABP3
分子名称: Fatty acid-binding protein, heart, PALMITIC ACID, ...
著者Hsu, H.C, Li, H.
登録日2017-08-18
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.40000093 Å)
主引用文献SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins.
Eur J Med Chem, 154, 2018
6BBU
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BU of 6bbu by Molmil
Crystal Structure of JAK1 in complex with compound 25
分子名称: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1
著者Han, S.
登録日2017-10-19
公開日2018-01-17
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6BBV
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BU of 6bbv by Molmil
Crystal Structure of JAK2 in complex with compound 25
分子名称: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2
著者Han, S.
登録日2017-10-19
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6CKW
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BU of 6ckw by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile
分子名称: (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
著者Mamo, M, Appleton, B.A.
登録日2018-03-01
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CHO
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BU of 6cho by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
分子名称: 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6CCO
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BU of 6cco by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid
分子名称: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CHL
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BU of 6chl by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile
分子名称: (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018

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