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2XVD
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BU of 2xvd by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, {4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
Deposit date:2010-10-25
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 4: Discovery and Optimization of a Benzylic Alcohol Series.
Bioorg.Med.Chem.Lett., 21, 2011
2VWV
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BU of 2vwv by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Kettle, J.G, Leach, A.G.
Deposit date:2008-06-27
Release date:2008-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
1PPC
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BU of 1ppc by Molmil
GEOMETRY OF BINDING OF THE BENZAMIDINE-AND ARGININE-BASED INHIBITORS N-ALPHA-(2-NAPHTHYL-SULPHONYL-GLYCYL)-DL-P-AMIDINOPHENYLALANYL-PIPERIDINE (NAPAP) AND (2R,4R)-4-METHYL-1-[N-ALPHA-(3-METHYL-1,2,3,4-TETRAHYDRO-8-QUINOLINESULPHONYL)-L-ARGINYL]-2-PIPERIDINE CARBOXYLIC ACID (MQPA) TO HUMAN ALPHA-THROMBIN: X-RAY CRYSTALLOGRAPHIC DETERMINATION OF THE NAPAP-TRYPSIN COMPLEX AND MODELING OF NAPAP-THROMBIN AND MQPA-THROMBIN
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, CALCIUM ION, TRYPSIN
Authors:Bode, W, Turk, D.
Deposit date:1991-10-24
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Geometry of binding of the benzamidine- and arginine-based inhibitors N alpha-(2-naphthyl-sulphonyl-glycyl)-DL-p-amidinophenylalanyl-pipe ridine (NAPAP) and (2R,4R)-4-methyl-1-[N alpha-(3-methyl-1,2,3,4-tetrahydr quinolinesulphonyl)-L-arginyl]-2-piperidine carboxylic acid (MQPA) to human alpha-thrombin.X-ray crystallographic determination of the NAPAP-trypsin complex and modeling of NAPAP-thrombin and MQPA-thrombin.
Eur.J.Biochem., 193, 1990
6FG1
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BU of 6fg1 by Molmil
CRYSTAL STRUCTURE OF FAB OF NATALIZUMAB IN COMPLEX WITH FAB OF NAA32.
Descriptor: GLYCEROL, HEAVY CHAIN OF FAB NAA32, HEAVY CHAIN OF FAB NATALIZUMAB, ...
Authors:Bertrand, T, Pouzieux, S.
Deposit date:2018-01-09
Release date:2019-07-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A single T cell epitope drives the neutralizing anti-drug antibody response to natalizumab in multiple sclerosis patients.
Nat. Med., 25, 2019
6FG2
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BU of 6fg2 by Molmil
CRYSTAL STRUCTURE OF FAB OF NATALIZUMAB IN COMPLEX WITH FAB OF NAA84.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN FAB NAA84, HEAVY CHAIN FAB NATALIZUMAB, ...
Authors:Bertrand, T, Pouzieux, S.
Deposit date:2018-01-09
Release date:2019-07-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:A single T cell epitope drives the neutralizing anti-drug antibody response to natalizumab in multiple sclerosis patients.
Nat. Med., 25, 2019
8D47
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BU of 8d47 by Molmil
fp.006 Fab in complex with SARS-CoV-2 Fusion Peptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Abernathy, M.E, Barnes, C.O.
Deposit date:2022-06-01
Release date:2022-12-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
8D48
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BU of 8d48 by Molmil
sd1.040 Fab in complex with SARS-CoV-2 Spike 2P glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, sd1.040 Fab heavy chain, ...
Authors:Abernathy, M.E, Barnes, C.O.
Deposit date:2022-06-01
Release date:2023-01-25
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
3ZTJ
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BU of 3ztj by Molmil
Structure of influenza A neutralizing antibody selected from cultures of single human plasma cells in complex with human H3 Influenza haemagglutinin.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FI6V3 ANTIBODY HEAVY CHAIN, ...
Authors:Voss, J.E, Vachieri, S.G, Gamblin, S.J, Collins, P.J, Haire, L.F, Skehel, J.J.
Deposit date:2011-07-08
Release date:2011-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:A Neutralizing Antibody Selected from Plasma Cells that Binds to Group 1 and Group 2 Influenza a Hemagglutinins.
Science, 333, 2011
2VYO
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BU of 2vyo by Molmil
Chitin deacetylase family member from Encephalitozoon cuniculi
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Urch, J.E, Hurtado-Guerrero, R, Texier, C, Van Aalten, D.M.F.
Deposit date:2008-07-25
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Functional Characterization of a Putative Polysaccharide Deacetylase of the Human Parasite Encephalitozoon Cuniculi.
Protein Sci., 18, 2009
2L41
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BU of 2l41 by Molmil
Nab3 RRM - UCUU complex
Descriptor: RNA (5'-R(P*UP*CP*UP*U)-3'), RRM domain from Nuclear polyadenylated RNA-binding protein 3
Authors:Stefl, R, Pergoli, R, Hobor, F, Kubicek, K, Zimmermann, M, Pasulka, J, Hofr, C.
Deposit date:2010-09-28
Release date:2010-11-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Recognition of transcription termination signal by the nuclear polyadenylated RNA-binding (NAB) 3 protein
J.Biol.Chem., 286, 2011
3TOB
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BU of 3tob by Molmil
Human MOF E350Q crystal structure with active site lysine partially acetylated
Descriptor: CHLORIDE ION, ZINC ION, histone acetyltransferase MYST1
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TO7
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BU of 3to7 by Molmil
Crystal structure of yeast Esa1 HAT domain bound to coenzyme A with active site lysine acetylated
Descriptor: CACODYLIC ACID, COENZYME A, GLYCEROL, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TOA
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BU of 3toa by Molmil
Human MOF crystal structure with active site lysine partially acetylated
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ZINC ION, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TO6
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BU of 3to6 by Molmil
Crystal structure of yeast Esa1 HAT domain complexed with H4K16CoA bisubstrate inhibitor
Descriptor: CARBOXYMETHYL COENZYME *A, Histone H4, Histone acetyltransferase ESA1
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
3TO9
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BU of 3to9 by Molmil
Crystal structure of yeast Esa1 E338Q HAT domain bound to coenzyme A with active site lysine acetylated
Descriptor: 1,2-ETHANEDIOL, CACODYLIC ACID, COENZYME A, ...
Authors:Yuan, H, Ding, E.C, Marmorstein, R.
Deposit date:2011-09-04
Release date:2011-11-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:MYST protein acetyltransferase activity requires active site lysine autoacetylation.
Embo J., 31, 2011
7U0A
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BU of 7u0a by Molmil
Crystal Structure of C77G12 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: CHLORIDE ION, Heavy chain Fab C77G12, Light chain Fab C77G12, ...
Authors:Tortorici, M.A, Veesler, D.
Deposit date:2022-02-17
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7U09
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BU of 7u09 by Molmil
Crystal Structure of C13B8 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: Heavy chain Fab C13B8, Light chain Fab C13B8, SARS-CoV-2 S fusion peptide
Authors:Tortorici, M.A, Veesler, D.
Deposit date:2022-02-17
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7U0E
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BU of 7u0e by Molmil
Crystal Structure of C13C9 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: Heavy chain Fab C13C9, Light chain Fab C13C9, SARS-CoV-2 S fusion peptide
Authors:Tortorici, M.A, Veesler, D.
Deposit date:2022-02-18
Release date:2022-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7SL5
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BU of 7sl5 by Molmil
Crystal Structure of VP12E7 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: Heavy chain VP12E7 Fab, Light chain VP12E7 Fab, PRO-SER-LYS-ARG-SER-PHE-ILE-GLU-ASP-LEU-LEU-PHE-ASN
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
7SKZ
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BU of 7skz by Molmil
Crystal Structure of VN01H1 Fab in complex with SARS-CoV-2 S fusion peptide
Descriptor: Heavy chain of VN01H1 Fab, Light chain of VN01H1 Fab, PRO-SER-LYS-ARG-SER-PHE-ILE-GLU-ASP-LEU-LEU-PHE-ASN
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:ACE2-binding exposes the SARS-CoV-2 fusion peptide to broadly neutralizing coronavirus antibodies.
Science, 377, 2022
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