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6N9J
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X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron in complex with an irreversible peptide inhibitor
分子名称: Clostripain-related protein, Covalently bound peptide inhibitor
著者Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
登録日2018-12-03
公開日2019-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
6F2H
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BU of 6f2h by Molmil
Structure of Protease 1 from Pyrococcus horikoshii co-crystallized in presence of 10 mM Tb-Xo4 and potassium iodide.
分子名称: Deglycase PH1704, IODIDE ION, TERBIUM(III) ION, ...
著者Engilberge, S, Riobe, F, Di Pietro, S, Franzetti, B, Girard, E, Dumont, E, Maury, O.
登録日2017-11-24
公開日2018-10-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography.
Chemistry, 24, 2018
1FHX
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BU of 1fhx by Molmil
Structure of the pleckstrin homology domain from GRP1 in complex with inositol 1,3,4,5-tetrakisphosphate
分子名称: GUANINE NUCLEOTIDE EXCHANGE FACTOR AND INTEGRIN BINDING PROTEIN HOMOLOG GRP1, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, SULFATE ION
著者Ferguson, K.M, Kavran, J.M, Sankaran, V.G, Fournier, E, Isakoff, S.J, Skolnik, E.Y, Lemmon, M.A.
登録日2000-08-02
公開日2000-08-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for discrimination of 3-phosphoinositides by pleckstrin homology domains
Mol.Cell, 6, 2000
7TLL
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BU of 7tll by Molmil
Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332)
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E.
登録日2022-01-18
公開日2022-01-26
最終更新日2022-06-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
6MS7
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BU of 6ms7 by Molmil
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77
分子名称: PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid
著者Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E.
登録日2018-10-16
公開日2019-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
分子名称: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
著者Shi, R, Picard, M.-E, Manenda, M.
登録日2018-11-01
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
8SUG
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BU of 8sug by Molmil
Cryo-EM structure of the wild type P. aeruginosa flagellar filament
分子名称: B-type flagellin
著者Kreutzberger, M.A, Nedeljkovic, M, Egelman, E.H, Sundberg, E.J.
登録日2023-05-12
公開日2023-06-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献An unbroken network of interactions connecting flagellin domains is required for motility in viscous environments.
Plos Pathog., 19, 2023
6PKA
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BU of 6pka by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ureadepsipeptide
分子名称: ATP-dependent Clp protease proteolytic subunit, OO1-WFP-SER-PRO-YCP-ALA-MP8 ureadepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2019-06-28
公開日2019-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 5, 2019
1FE8
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BU of 1fe8 by Molmil
CRYSTAL STRUCTURE OF THE VON WILLEBRAND FACTOR A3 DOMAIN IN COMPLEX WITH A FAB FRAGMENT OF IGG RU5 THAT INHIBITS COLLAGEN BINDING
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, IMMUNOGLOBULIN IGG RU5, ...
著者Bouma, B, Huizinga, E.G, Schiphorst, M.E, Sixma, J.J, Kroon, J, Gros, P.
登録日2000-07-21
公開日2001-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Identification of the collagen-binding site of the von Willebrand factor A3-domain.
J.Biol.Chem., 276, 2001
5KC6
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Crystal structure of Cbln1 (Val55-Gly58 deletion mutant)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
著者Elegheert, J, Clay, J.E, Aricescu, A.R.
登録日2016-06-05
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
1FHW
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BU of 1fhw by Molmil
Structure of the pleckstrin homology domain from GRP1 in complex with inositol(1,3,4,5,6)pentakisphosphate
分子名称: GUANINE NUCLEOTIDE EXCHANGE FACTOR AND INTEGRIN BINDING PROTEIN HOMOLOG GRP1, INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, SULFATE ION
著者Ferguson, K.M, Kavran, J.M, Sankaran, V.G, Fournier, E, Isakoff, S.J, Skolnik, E.Y, Lemmon, M.A.
登録日2000-08-02
公開日2000-08-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for discrimination of 3-phosphoinositides by pleckstrin homology domains
Mol.Cell, 6, 2000
5KEM
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BU of 5kem by Molmil
EBOV sGP in complex with variable Fab domains of IgGs c13C6 and BDBV91
分子名称: BDBV91 variable Fab domain heavy chain, BDBV91 variable Fab domain light chain, Ebola secreted glycoprotein, ...
著者Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B.
登録日2016-06-09
公開日2016-09-07
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
1FPZ
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BU of 1fpz by Molmil
CRYSTAL STRUCTURE ANALYSIS OF KINASE ASSOCIATED PHOSPHATASE (KAP) WITH A SUBSTITUTION OF THE CATALYTIC SITE CYSTEINE (CYS140) TO A SERINE
分子名称: CYCLIN-DEPENDENT KINASE INHIBITOR 3, SULFATE ION
著者Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D.
登録日2000-09-01
公開日2001-05-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
1FN4
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BU of 1fn4 by Molmil
CRYSTAL STRUCTURE OF FAB198, AN EFFICIENT PROTECTOR OF ACETYLCHOLINE RECEPTOR AGAINST MYASTHENOGENIC ANTIBODIES
分子名称: MONOCLONAL ANTIBODY AGAINST ACETYLCHOLINE RECEPTOR
著者Poulas, K, Eliopoulos, E, Vatzaki, E, Navaza, J, Kontou, M.
登録日2000-08-21
公開日2001-09-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Fab198, an efficient protector of the acetylcholine receptor against myasthenogenic antibodies.
Eur.J.Biochem., 268, 2001
6MZ0
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BU of 6mz0 by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ530
分子名称: 1,2-ETHANEDIOL, 5-hydroxypyrazine-2,3-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Structure of Tdp1 catalytic domain in complex with compound XZ530
To Be Published
6N0R
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BU of 6n0r by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ572
分子名称: 1,2-ETHANEDIOL, 4-(methylamino)benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ...
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-07
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.544 Å)
主引用文献Crystal structure of Tdp1 catalytic domain
To Be Published
8TAR
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BU of 8tar by Molmil
APC/C-CDH1-UBE2C-Ubiquitin-CyclinB-NTD
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G.
登録日2023-06-27
公開日2023-09-27
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C).
Nat.Struct.Mol.Biol., 30, 2023
7TPP
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BU of 7tpp by Molmil
Cryo-em structure of human prothrombin:prothrombinase at 4.1 Angstrom resolution
分子名称: Activated factor Xa heavy chain, Coagulation factor Va, Factor X light chain, ...
著者Di Cera, E, Ruben, E.A.
登録日2022-01-25
公開日2022-05-04
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structure of the prothrombin-prothrombinase complex.
Blood, 139, 2022
6W20
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BU of 6w20 by Molmil
ClpAP Disengaged State bound to RepA-GFP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ...
著者Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R.
登録日2020-03-04
公開日2020-05-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis.
Nat.Struct.Mol.Biol., 27, 2020
8AFI
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BU of 8afi by Molmil
GABARAP in complex with LIR motif of HsATG3
分子名称: ACETATE ION, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
著者Farnung, J, Benoit, R.M, Corn, J.E, Bode, J.W.
登録日2022-07-18
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Semisynthetic LC3 Probes for Autophagy Pathways Reveal a Noncanonical LC3 Interacting Region Motif Crucial for the Enzymatic Activity of Human ATG3.
Acs Cent.Sci., 9, 2023
7OQZ
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BU of 7oqz by Molmil
Cryo-EM structure of human TMEM45A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Transmembrane protein 45A
著者Grieben, M, Pike, A.C.W, Evans, A, Shrestha, L, Venkaya, S, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Carpenter, E.P.
登録日2021-06-04
公開日2021-06-16
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献CryoEM structure of human TMEM45A
To Be Published
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
著者Merritt, E.A.
登録日2015-03-17
公開日2016-04-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
8SV8
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BU of 8sv8 by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex from a composite map
分子名称: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
著者Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
登録日2023-05-15
公開日2023-10-11
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
8DUS
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BU of 8dus by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with (1'-(4-(2-(ethylamino)ethoxy)phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone
分子名称: Estrogen receptor, [(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
著者Hancock, G.R, Young, K.S, Hosfield, D.J, Joiner, C, Sullivan, E.A, Yildz, Y, Laine, M, Greene, G.L, Fanning, S.W.
登録日2022-07-27
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
NPJ Breast Cancer, 8, 2022

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