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3I0D
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BU of 3i0d by Molmil
Crystal structure of GTB C80S/C196S + UDP
Descriptor: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3I0I
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BU of 3i0i by Molmil
Crystal structure of GTB C80S/C196S/C209S + UDP
Descriptor: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
5KR1
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BU of 5kr1 by Molmil
Protease PR5-DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV
Authors:Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
Deposit date:2016-07-06
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
4N5H
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BU of 4n5h by Molmil
Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001)
Descriptor: CALCIUM ION, CHLORIDE ION, Esterase/lipase, ...
Authors:Bennett, M.D, Holland, R, Loo, T.S, Smith, C.A, Norris, G.E, Delabre, M.-L, Anderson, B.F.
Deposit date:2013-10-09
Release date:2014-10-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal structure of ESTERASE B from Lactobacillus Rhamnosis (HN001)
TO BE PUBLISHED
5ZR3
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BU of 5zr3 by Molmil
Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide
Descriptor: 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide, Heat shock protein HSP 90-alpha
Authors:Uno, T, Chong, K.T, Suzuki, T.
Deposit date:2018-04-23
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.
J. Med. Chem., 62, 2019
8OKV
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BU of 8okv by Molmil
lipoprotein BT2095 from Bacteroides thetaiotamicron bound to cyanocobalamin CnCbl
Descriptor: CYANOCOBALAMIN, Putative surface layer protein
Authors:Javier Abellon-Ruiz, J, van den Berg, B, Jana, K, Kleinekathofer, U, Silale, A, Frey, A.M, Basle, A, Trost, M.
Deposit date:2023-03-29
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides.
Nat Commun, 14, 2023
4P2P
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BU of 4p2p by Molmil
AN INDEPENDENT CRYSTALLOGRAPHIC REFINEMENT OF PORCINE PHOSPHOLIPASE A2 AT 2.4 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Finzel, B.C, Ohlendorf, D.H, Weber, P.C, Salemme, F.R.
Deposit date:1991-10-22
Release date:1992-01-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An independent crystallographic refinement of porcine phospholipase A2 at 2.4 A resolution
Acta Crystallogr.,Sect.B, 47, 1991
6ORQ
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BU of 6orq by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab275MUR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab275MUR antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
7OTC
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BU of 7otc by Molmil
Cryo-EM structure of an Escherichia coli 70S ribosome in complex with elongation factor G and the antibiotic Argyrin B
Descriptor: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ...
Authors:Wieland, M, Koller, T.O, Wilson, D.N.
Deposit date:2021-06-10
Release date:2022-05-11
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8T5P
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BU of 8t5p by Molmil
SARS-CoV-2 ORF3a peptide in complex with TRAF3 TRAF domain
Descriptor: ORF3a protein, TNF receptor-associated factor 3
Authors:Busscher, B.M, Xiao, T.S.
Deposit date:2023-06-14
Release date:2023-11-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SARS-CoV-2 ORF3a-Mediated NF-kappa B Activation Is Not Dependent on TRAF-Binding Sequence.
Viruses, 15, 2023
5F7T
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BU of 5f7t by Molmil
TRIM5 B-box2 and coiled-coil chimera
Descriptor: Tripartite motif-containing protein 5,Serine--tRNA ligase,Tripartite motif-containing protein 5, ZINC ION
Authors:Wagner, J.M, Doss, G, Pornillos, O.
Deposit date:2015-12-08
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha.
Elife, 5, 2016
3I0E
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BU of 3i0e by Molmil
Crystal structure of GTB C80S/C196S + H-antigen
Descriptor: ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside
Authors:Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
Deposit date:2009-06-25
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
6GRT
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BU of 6grt by Molmil
Paired immunoglobulin-like receptor B (PirB) or Leukocyte immunoglobulin-like receptor subfamily B member 3 (LILRB3) full extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Paired immunoglobulin-like receptor B, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vlieg, H.C, Huizinga, E.G, Janssen, B.J.C.
Deposit date:2018-06-12
Release date:2019-02-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (4.504 Å)
Cite:Structure and flexibility of the extracellular region of the PirB receptor.
J.Biol.Chem., 294, 2019
6E3T
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BU of 6e3t by Molmil
Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001
Descriptor: (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
Authors:Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F.
Deposit date:2018-07-15
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
5LHH
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BU of 5lhh by Molmil
Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Descriptor: 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Cecatiello, V, Pasqualato, S.
Deposit date:2016-07-11
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
8UMO
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BU of 8umo by Molmil
Murine CD94-NKG2A receptor in complex with Qa-1b presenting AMAPRTLLL
Descriptor: BROMIDE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:MacLachlan, B.J, Rossjohn, J, Vivian, J.P.
Deposit date:2023-10-18
Release date:2024-01-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the murine CD94-NKG2A receptor in complex with Qa-1 b presenting an MHC-I leader peptide.
Febs J., 291, 2024
6VL6
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BU of 6vl6 by Molmil
De novo designed tetrahedral nanoparticle T33_dn2 presenting BG505 SOSIP trimers
Descriptor: T33_dn2A, T33_dn2B
Authors:Ward, A.B, Antanasijevic, A.
Deposit date:2020-01-22
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6T36
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BU of 6t36 by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the HBV core protein C-terminal peptide
Descriptor: BROMIDE ION, Capsid protein, Tyrosine-protein phosphatase non-receptor type 3
Authors:Genera, M, Mechaly, A, Haouz, A, Caillet-Saguy, C.
Deposit date:2019-10-10
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Molecular basis of the interaction of the human tyrosine phosphatase PTPN3 with the hepatitis B virus core protein.
Sci Rep, 11, 2021
2L4M
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BU of 2l4m by Molmil
Solution structure of the Zbeta domain of human DAI and its binding modes to B- and Z-DNA
Descriptor: Uncharacterized protein
Authors:Kim, K, Khayrutdinov, B.I, Jeon, Y.H, Kim, K.K.
Deposit date:2010-10-08
Release date:2011-04-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the Zbeta domain of human DNA-dependent activator of IFN-regulatory factors and its binding modes to B- and Z-DNA
Proc.Natl.Acad.Sci.USA, 2011
6ORP
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BU of 6orp by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab897NHP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab897NHP antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
8U44
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BU of 8u44 by Molmil
CryoEM structure of A/Solomon Islands/3/2006 H1 HA in complex with 05.GC.w2.3C10-H1_SI06
Descriptor: 05.GC.w2.3C10-H1_SI06 Heavy chain, 05.GC.w2.3C10-H1_SI06 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Moore, N, Han, J, Ward, A.B, Wilson, I.A.
Deposit date:2023-09-08
Release date:2024-06-26
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
2KJR
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BU of 2kjr by Molmil
Solution NMR structure of the N-terminal Ubiquitin-like Domain from Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast Structural Genomics Consortium Target FR629A (residues 8-92)
Descriptor: CG11242
Authors:Ramelot, T.A, Cort, J.R, Shastry, R, Ciccosanti, C, Jiang, M, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-06-08
Release date:2009-06-23
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution NMR structure of the N-terminal Ubiquitin-like Domain from Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast Structural Genomics Consortium Target FR629A (residues 8-92)
To be Published
3HDN
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BU of 3hdn by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
Descriptor: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
Authors:Zhao, B, Hammond, M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3HDM
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BU of 3hdm by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1
Descriptor: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Serine/threonine-protein kinase Sgk1
Authors:Zhao, B, Hammond, M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
7RZD
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BU of 7rzd by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-08-27
Release date:2022-11-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023

238582

数据于2025-07-09公开中

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