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5WN5
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BU of 5wn5 by Molmil
APE1 exonuclease substrate complex with a C/T mismatch and Mn2+
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DV3))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Freudenthal, B.D, Whitaker, A.M.
登録日2017-07-31
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular snapshots of APE1 proofreading mismatches and removing DNA damage.
Nat Commun, 9, 2018
5F8Z
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BU of 5f8z by Molmil
The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1
分子名称: CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein LIGHT CHAIN, SULFATE ION, ...
著者Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M.
登録日2015-12-09
公開日2016-12-14
最終更新日2025-09-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1
To Be Published
4UZN
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BU of 4uzn by Molmil
The native structure of the family 46 carbohydrate-binding module (CBM46) of endo-beta-1,4-glucanase B (Cel5B) from Bacillus halodurans
分子名称: ENDO-BETA-1,4-GLUCANASE (CELULASE B)
著者Venditto, I, Santos, H, Ferreira, L.M.A, Sakka, K, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-05
公開日2015-02-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms.
J.Biol.Chem., 290, 2015
4W9P
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BU of 4w9p by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F.
登録日2014-08-27
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
4URK
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BU of 4urk by Molmil
PI3Kg in complex with AZD6482
分子名称: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
著者Giordanetto, F, Barlaam, B, Berglund, S, Edman, K, Karlsson, O, Lindberg, J, Nylander, S, Inghardt, T.
登録日2014-06-30
公開日2014-10-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 9-(1-Phenoxyethyl)-2-Morpholino-4-Oxo-Pyrido[1, 2-A]Pyrimidine-7-Carboxamides as Oral Pi3Kbeta Inhibitors, Useful as Antiplatelet Agents.
Bioorg.Med.Chem.Lett., 24, 2014
5LUC
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BU of 5luc by Molmil
Crystal structure of the D183N variant of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) at 1.8 Angstrom; internal aldimine with PLP in the active site
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, Serine--pyruvate aminotransferase
著者Giardina, G, Cutruzzola, F, Cellini, B, Borri Voltattorni, C, Montioli, R.
登録日2016-09-08
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
5M3A
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BU of 5m3a by Molmil
Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 2
分子名称: 1,2-ETHANEDIOL, 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4
著者Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L.
登録日2016-10-14
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design.
J. Med. Chem., 60, 2017
5M1R
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BU of 5m1r by Molmil
X-ray structure of human G166D PGK-1 mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase 1
著者Ilari, A, Cipollone, A, Fiorillo, A, Petrosino, M.
登録日2016-10-10
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
PLoS ONE, 13, 2018
8C7Y
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BU of 8c7y by Molmil
Crystal structure of BRAF V600E in complex with a hybrid compound 6
分子名称: 1,2-ETHANEDIOL, NITRATE ION, Serine/threonine-protein kinase B-raf, ...
著者Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-01-17
公開日2023-02-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
8C7X
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BU of 8c7x by Molmil
Crystal structure of BRAF in complex with a hybrid compound 6
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, Serine/threonine-protein kinase B-raf, ...
著者Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-01-17
公開日2023-02-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Eur.J.Med.Chem., 250, 2023
5LVS
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BU of 5lvs by Molmil
Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries
分子名称: Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ...
著者Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y.
登録日2016-09-14
公開日2017-03-08
最終更新日2024-12-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
5WT9
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BU of 5wt9 by Molmil
Complex structure of PD-1 and nivolumab-Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Nivolumab, Light Chain of Nivolumab, ...
著者Tan, S, Zhang, H, Chai, Y, Song, H, Tong, Z, Wang, Q, Qi, J, Wong, G, Zhu, X, Liu, W.J, Gao, S, Wang, Z, Shi, Y, Yang, F, Gao, G.F, Yan, J.
登録日2016-12-10
公開日2017-02-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献An unexpected N-terminal loop in PD-1 dominates binding by nivolumab.
Nat Commun, 8, 2017
5MD9
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BU of 5md9 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=6
分子名称: Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain
著者Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2016-11-10
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MD7
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BU of 5md7 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=-12
分子名称: Capsid protein p24
著者Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2016-11-10
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MD3
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BU of 5md3 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=12
分子名称: Capsid protein p24
著者Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2016-11-10
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MDE
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BU of 5mde by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=23, twist=0
分子名称: Capsid protein p24 C-terminal domain, Capsid protein p24 N-terminal domain
著者Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2016-11-10
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MDA
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BU of 5mda by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=0
分子名称: Gag protein
著者Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2016-11-10
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5M6Z
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BU of 5m6z by Molmil
The X-ray structure of human M189I PGK-1 mutant in partially closed conformation
分子名称: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Ilari, A, Fiorillo, A, Petrosino, M, Cipollone, A.
登録日2016-10-26
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
PLoS ONE, 13, 2018
5MD8
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BU of 5md8 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=17, twist=12
分子名称: Gag protein
著者Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2016-11-10
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.6 Å)
主引用文献The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
4UZ6
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BU of 4uz6 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM V - SOS COMPLEX - 1.9A
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zebisch, M, Jones, E.Y.
登録日2014-09-04
公開日2015-02-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
5MD4
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BU of 5md4 by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=11, twist=6
分子名称: Capsid protein p24
著者Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2016-11-10
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5MDG
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BU of 5mdg by Molmil
The structure of the mature HIV-1 CA hexameric lattice with curvature parameters: tilt=29, twist=0
分子名称: Gag protein
著者Mattei, S, Glass, B, Hagen, W.J.H, Kraeusslich, H.-G, Briggs, J.A.G.
登録日2016-11-10
公開日2016-12-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献The structure and flexibility of conical HIV-1 capsids determined within intact virions.
Science, 354, 2016
5G1O
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BU of 5g1o by Molmil
Aspartate transcarbamoylase domain of human CAD in apo form
分子名称: 1,2-ETHANEDIOL, CAD protein, GLYCEROL
著者Ruiz-Ramos, A, Grande-Garcia, A, Moreno-Morcillo, M.D, Ramon-Maiques, S.
登録日2016-03-29
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-Tumoral Drug Pala.
Structure, 24, 2016
7LT9
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BU of 7lt9 by Molmil
Crystal structure of Ras suppressor-1 in complex with PINCH-1 LIM4-5 domains
分子名称: LIM and senescent cell antigen-like-containing domain protein 1, Ras suppressor protein 1, ZINC ION
著者Fukuda, K, Qin, J.
登録日2021-02-19
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.050112 Å)
主引用文献Molecular basis for Ras suppressor-1 binding to PINCH-1 in focal adhesion assembly.
J.Biol.Chem., 296, 2021
7LT8
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BU of 7lt8 by Molmil
Crystal structure of Ras suppressor-1
分子名称: Ras suppressor protein 1
著者Fukuda, K, Qin, J.
登録日2021-02-19
公開日2021-04-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76000249 Å)
主引用文献Molecular basis for Ras suppressor-1 binding to PINCH-1 in focal adhesion assembly.
J.Biol.Chem., 296, 2021

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