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5TJ1
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Benenodin-1-dC5, state 1
分子名称: Benenodin-1
著者Zong, C, Link, A.J.
登録日2016-10-03
公開日2017-07-19
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Lasso Peptide Benenodin-1 Is a Thermally Actuated [1]Rotaxane Switch.
J. Am. Chem. Soc., 139, 2017
1K0M
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BU of 1k0m by Molmil
Crystal structure of a soluble monomeric form of CLIC1 at 1.4 angstroms
分子名称: CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1
著者Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G.
登録日2001-09-19
公開日2001-12-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution.
J.Biol.Chem., 276, 2001
2HLC
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BU of 2hlc by Molmil
HL COLLAGENASE STRUCTURE AT 1.7A RESOLUTION
分子名称: COLLAGENASE
著者Broutin, I, Merigeau, K, Arnoux, B, Ducruix, A.
登録日1997-01-08
公開日1997-09-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.8 A structure of Hypoderma lineatum collagenase: a member of the serine proteinase family.
Acta Crystallogr.,Sect.D, 52, 1996
3OKS
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BU of 3oks by Molmil
Crystal structure of 4-aminobutyrate transaminase from mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, 4-aminobutyrate transaminase, FORMIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-25
公開日2010-10-27
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4MUK
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BU of 4muk by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-22
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4Z6R
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BU of 4z6r by Molmil
Structure of H200E variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-sulfonyl catechol at 1.70 Ang resolution
分子名称: 1,2-ETHANEDIOL, 3,4-dihydroxybenzenesulfonic acid, CALCIUM ION, ...
著者Kovaleva, E.G, Lipscomb, J.D.
登録日2015-04-06
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
6KK1
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BU of 6kk1 by Molmil
Structure of thermal-stabilised(M8) human GLP-1 receptor transmembrane domain
分子名称: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
著者Song, G.
登録日2019-07-23
公開日2019-11-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
7ZPB
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BU of 7zpb by Molmil
Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
登録日2022-04-27
公開日2023-02-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
6TP6
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BU of 6tp6 by Molmil
Crystal structure of the Orexin-1 receptor in complex with filorexant
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CHLORIDE ION, Orexin receptor type 1, ...
著者Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A.
登録日2019-12-12
公開日2020-01-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.338 Å)
主引用文献Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
3WPZ
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BU of 3wpz by Molmil
Microbacterium saccharophilum K-1 beta-fructofuranosidase mutant T47S/S200T/F447P/F470Y/P500S
分子名称: Beta-fructofuranosidase
著者Yokoi, G, Mori, M, Sato, S, Miyazaki, T, Nishikawa, A, Tonozuka, T.
登録日2014-01-17
公開日2014-03-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Enhancing thermostability and the structural characterization of Microbacterium saccharophilum K-1 beta-fructofuranosidase
Appl.Microbiol.Biotechnol., 98, 2014
4MUL
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BU of 4mul by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(naphthalen-2-ylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-22
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
7LX2
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BU of 7lx2 by Molmil
Cryo-EM structure of ConSOSL.UFO.664 (ConS) in complex with bNAb PGT122
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, Env glycoprotein gp160, ...
著者Martin, G.M, Ward, A.B, Sattentau, Q.J.
登録日2021-03-03
公開日2022-03-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
3CLA
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BU of 3cla by Molmil
REFINED CRYSTAL STRUCTURE OF TYPE III CHLORAMPHENICOL ACETYLTRANSFERASE AT 1.75 ANGSTROMS RESOLUTION
分子名称: CHLORAMPHENICOL, COBALT (II) ION, TYPE III CHLORAMPHENICOL ACETYLTRANSFERASE
著者Leslie, A.G.W.
登録日1990-07-09
公開日1990-10-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Refined crystal structure of type III chloramphenicol acetyltransferase at 1.75 A resolution.
J.Mol.Biol., 213, 1990
7LXM
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BU of 7lxm by Molmil
Cryo-EM structure of ConM SOSIP.v7 (ConM) in complex with bNAb PGT122
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, HIV-1 Env glycoprotein gp120, ...
著者Martin, G.M, Ward, A.B, Sattentau, Q.J.
登録日2021-03-04
公開日2022-03-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
7LX3
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BU of 7lx3 by Molmil
Cryo-EM structure of EDC-crosslinked ConSOSL.UFO.664 (ConS-EDC) in complex with bNAb PGT122
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, Env glycoprotein gp160, ...
著者Martin, G.M, Ward, A.B, Sattentau, Q.J.
登録日2021-03-03
公開日2022-03-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
7LXN
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BU of 7lxn by Molmil
Cryo-EM structure of EDC-crosslinked ConM SOSIP.v7 (ConM-EDC) in complex with bNAb PGT122
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, HIV-1 Env glycoprotein gp120, ...
著者Martin, G.M, Ward, A.B, Sattentau, Q.J.
登録日2021-03-04
公開日2022-03-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
3CGO
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BU of 3cgo by Molmil
IRAK-4 Inhibitors (Part II)- A structure based assessment of imidazo[1,2 a]pyridine binding
分子名称: 2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide, Mitogen-activated protein kinase 10
著者Ceska, T.A, Platt, A, Fortunato, M, Dickson, K.M, Beevers, R.
登録日2008-03-06
公開日2008-06-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献IRAK-4 inhibitors. Part II: A structure-based assessment of imidazo[1,2-a]pyridine binding
Bioorg.Med.Chem.Lett., 18, 2008
5K54
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BU of 5k54 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state
分子名称: Fructose-1,6-bisphosphatase isozyme 2
著者Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
登録日2016-05-23
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.717 Å)
主引用文献Structural studies of human muscle FBPase
To Be Published
6KDZ
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BU of 6kdz by Molmil
Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor
分子名称: 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol, MAGNESIUM ION, ZINC ION, ...
著者Amano, Y, Honbou, K.
登録日2019-07-03
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors.
Bioorg.Med.Chem., 27, 2019
3CE3
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BU of 3ce3 by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Hepatocyte growth factor receptor
著者Sack, J.
登録日2008-02-28
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.
J.Med.Chem., 51, 2008
1KAE
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BU of 1kae by Molmil
L-HISTIDINOL DEHYDROGENASE (HISD) STRUCTURE COMPLEXED WITH L-HISTIDINOL (SUBSTRATE), ZINC AND NAD (COFACTOR)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Histidinol dehydrogenase, ...
著者Barbosa, J.A.R.G, Sivaraman, J, Li, Y, Larocque, R, Matte, A, Schrag, J.D, Cygler, M.
登録日2001-11-01
公開日2002-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of action and NAD+-binding mode revealed by the crystal structure of L-histidinol dehydrogenase.
Proc.Natl.Acad.Sci.USA, 99, 2002
1X5A
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BU of 1x5a by Molmil
The solution structure of the second fibronectin type III domain of mouse Ephrin type-A receptor 1
分子名称: Ephrin type-A receptor 1
著者Tochio, N, Sasagawa, A, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-15
公開日2005-11-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The solution structure of the second fibronectin type III domain of mouse Ephrin type-A receptor 1
To be Published
1OCT
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BU of 1oct by Molmil
CRYSTAL STRUCTURE OF THE OCT-1 POU DOMAIN BOUND TO AN OCTAMER SITE: DNA RECOGNITION WITH TETHERED DNA-BINDING MODULES
分子名称: DNA (5'-D(*AP*CP*CP*TP*TP*AP*TP*TP*TP*GP*CP*AP*TP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*TP*AP*AP*GP*G)-3'), PROTEIN (OCT-1 POU DOMAIN)
著者Klemm, J.D, Rould, M.A, Aurora, R, Herr, W, Pabo, C.O.
登録日1994-05-09
公開日1994-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the Oct-1 POU domain bound to an octamer site: DNA recognition with tethered DNA-binding modules.
Cell(Cambridge,Mass.), 77, 1994
3YGS
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BU of 3ygs by Molmil
APAF-1 CARD IN COMPLEX WITH PRODOMAIN OF PROCASPASE-9
分子名称: APOPTOTIC PROTEASE ACTIVATING FACTOR 1, PROCASPASE 9
著者Qin, H, Srinivasula, S, Wu, G, Fernandes-Alnemri, T, Alnemri, E, Shi, Y.
登録日1999-05-08
公開日2000-04-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of procaspase-9 recruitment by the apoptotic protease-activating factor 1.
Nature, 399, 1999
4MLN
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BU of 4mln by Molmil
Crystal of PhnZ bound to (R)-2-amino-1-hydroxyethylphosphonic acid
分子名称: FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid
著者van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2013-09-06
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates.
Proc.Natl.Acad.Sci.USA, 111, 2014

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