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5K9O
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BU of 5k9o by Molmil
Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009
Descriptor: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-12-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.387 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
6V3J
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BU of 6v3j by Molmil
KIR3DL1 in complex with HLA-B*57:03 presenting the peptide LSSPVTKSF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2P
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BU of 6v2p by Molmil
HLA-B*57:03 presenting the peptide ASLNLPAVSW
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VL5
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BU of 6vl5 by Molmil
BG505 SOSIP reconstructed from a designed tetrahedral nanoparticle, BG505 SOSIP-T33_dn2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2(7S) - gp120, ...
Authors:Ward, A.B, Antanasijevic, A.
Deposit date:2020-01-22
Release date:2020-08-12
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
9L5T
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BU of 9l5t by Molmil
Cryo-EM structure of the thermophile spliceosome (state B*Q2)
Descriptor: Anaphase-promoting complex subunit 4-like WD40 domain-containing protein, CCDC12, Delta(14)-sterol reductase, ...
Authors:Li, Y, Fischer, P, Wang, M, Yuan, R, Meng, W, Luehrmann, R, Lau, B, Hurt, E, Cheng, J.
Deposit date:2024-12-23
Release date:2025-03-12
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into spliceosome fidelity: DHX35-GPATCH1- mediated rejection of aberrant splicing substrates.
Cell Res., 35, 2025
9L5S
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BU of 9l5s by Molmil
Cryo-EM structure of the thermophile spliceosome (state B*Q1)
Descriptor: Anaphase-promoting complex subunit 4-like WD40 domain-containing protein, CCDC12, Delta(14)-sterol reductase, ...
Authors:Li, Y, Fischer, P, Wang, M, Yuan, R, Meng, W, Luehrmann, R, Lau, B, Hurt, E, Cheng, J.
Deposit date:2024-12-23
Release date:2025-03-12
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into spliceosome fidelity: DHX35-GPATCH1- mediated rejection of aberrant splicing substrates.
Cell Res., 35, 2025
9LYP
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BU of 9lyp by Molmil
Alpha SARS-CoV-2 spike protein RBD-down in complex with REGN10987 Fab homologue (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, REGN10987 Fab homologue (Heavy chain), REGN10987 Fab homologue (Light chain), ...
Authors:Kocharovskaya, M.V, Pichkur, E.B, Shenkarev, Z.O, Lyukmanova, E.N.
Deposit date:2025-02-20
Release date:2025-04-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and dynamics of Alpha B.1.1.7 SARS-CoV-2 S-protein in complex with Fab of neutralizing antibody REGN10987.
Biochem.Biophys.Res.Commun., 755, 2025
9N2B
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BU of 9n2b by Molmil
Impacts of ribosomal RNA sequence variation on gene expression and phenotype: Cryo-EM structure of the rrsB ribosome (BBB-70S)
Descriptor: 1,4-DIAMINOBUTANE, 16S ribosomal RNA (rRNA) from the rrnB operon, 23S ribosomal RNA (rRNA) from the rrnB operon, ...
Authors:Welfer, G.A, Brady, R.A, Natchiar, S.K, Watson, Z.L, Rundlet, E.J, Alejo, J.L, Singh, A.P, Mishra, N.K, Altman, R.B, Blanchard, S.C.
Deposit date:2025-01-28
Release date:2025-03-19
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Impacts of ribosomal RNA sequence variation on gene expression and phenotype.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 380, 2025
9N7R
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BU of 9n7r by Molmil
Crystal structure of HPK1 bound to N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea (compound C6)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Walters, B.T, Kiefer, J.R, Hsu, P.L, Wang, W, Wu, P.
Deposit date:2025-02-06
Release date:2025-06-25
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Integrating Hydrogen Exchange with Molecular Dynamics for Improved Ligand Binding Predictions.
J.Chem.Inf.Model., 65, 2025
9LYO
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BU of 9lyo by Molmil
Alpha SARS-CoV-2 spike protein in complex with REGN10987 Fab homologue.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, REGN10987 Fab homologue (Heavy chain), ...
Authors:Kocharovskaya, M.V, Pichkur, E.B, Shenkarev, Z.O, Lyukmanova, E.N.
Deposit date:2025-02-20
Release date:2025-04-02
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structure and dynamics of Alpha B.1.1.7 SARS-CoV-2 S-protein in complex with Fab of neutralizing antibody REGN10987.
Biochem.Biophys.Res.Commun., 755, 2025
7OSE
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BU of 7ose by Molmil
cytochrome bd-II type oxidase with bound aurachin D
Descriptor: Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ...
Authors:Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T.
Deposit date:2021-06-08
Release date:2021-11-17
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D.
Nat Commun, 12, 2021
6WCE
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BU of 6wce by Molmil
Structure of the periplasmic binding protein P5PA
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal-5-phosphate binding protein A (P5PA)
Authors:Pan, C, Zimmer, A, Shah, M, Huynh, M, Lai, C.C.L, Sit, B, Hooda, Y, Moraes, T.F.
Deposit date:2020-03-30
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:Actinobacillus utilizes a binding protein-dependent ABC transporter to acquire the active form of vitamin B 6 .
J.Biol.Chem., 297, 2021
7NSG
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BU of 7nsg by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
Descriptor: (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2021-03-05
Release date:2022-03-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
6W7V
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BU of 6w7v by Molmil
Structure of rabbit actin in complex with truncated analog of Mycalolide B
Descriptor: (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Allingham, J.S, Deng, X, Trofimova, D.
Deposit date:2020-03-19
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Truncated Actin-Targeting Macrolide Derivative Blocks Cancer Cell Motility and Invasion of Extracellular Matrix.
J.Am.Chem.Soc., 143, 2021
1DEE
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BU of 1dee by Molmil
Structure of S. aureus protein A bound to a human IgM Fab
Descriptor: IGM RF 2A2, IMMUNOGLOBULIN G BINDING PROTEIN A
Authors:Graille, M, Stura, E.A, Corper, A.L, Sutton, B.J, Taussig, M.J, Charbonnier, J.B, Silverman, G.J.
Deposit date:1999-11-15
Release date:2000-05-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a Staphylococcus aureus protein A domain complexed with the Fab fragment of a human IgM antibody: structural basis for recognition of B-cell receptors and superantigen activity.
Proc.Natl.Acad.Sci.USA, 97, 2000
6WPW
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BU of 6wpw by Molmil
GCGR-Gs signaling complex bound to a designed glucagon derivative
Descriptor: Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hilger, D, Krishna Kumar, K, Hu, H, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
Deposit date:2020-04-28
Release date:2020-08-12
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into differences in G protein activation by family A and family B GPCRs.
Science, 369, 2020
8GCI
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BU of 8gci by Molmil
Crystal structure of C. elegans LIN-42 PAS-B domain
Descriptor: Period protein homolog lin-42
Authors:Spangler, B.K, Coronado, A.R, Tripathi, S.M, Ward, J.D, Partch, C.L.
Deposit date:2023-03-01
Release date:2023-03-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of C. elegans LIN-42 PAS-B domain
To Be Published
7AUX
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BU of 7aux by Molmil
Crystal structure of OXA-48 beta-lactamase in the complex with the inhbitor ID2
Descriptor: 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Beta-lactamase, CHLORIDE ION
Authors:Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R.
Deposit date:2020-11-03
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening.
Pharmaceuticals, 14, 2021
1E6N
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BU of 1e6n by Molmil
Chitinase B from Serratia marcescens inactive mutant E144Q in complex with N-acetylglucosamine-pentamer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE B, GLYCEROL, ...
Authors:Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2000-08-21
Release date:2001-06-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
1E6R
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BU of 1e6r by Molmil
Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin
Descriptor: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ...
Authors:Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2000-08-22
Release date:2001-06-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
1E97
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BU of 1e97 by Molmil
Crystal structure of ketosteroid isomerase from Pseudomonas putida ; triple mutant y16f/y32f/y57f
Descriptor: STEROID DELTA-ISOMERASE
Authors:Ha, N.-C, Oh, B.-H.
Deposit date:2000-10-10
Release date:2001-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peudoreversion of the Catalytic Activity of Y14F by the Additional Substitution(S) of Tyrosine with Phenylalanine in the Hydrogen Bond Network of Delta 5-3-Ketosteroid Isomerase from Pseudomonas Putida Biotype B
Biochemistry, 40, 2001
1E15
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BU of 1e15 by Molmil
Chitinase B from Serratia Marcescens
Descriptor: CHITINASE B
Authors:Van Aalten, D.M.F, Synstad, B, Brurberg, M.B, Hough, E, Riise, B.W, Eijsink, V.G.H, Wierenga, R.K.
Deposit date:2000-04-18
Release date:2000-08-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a Two-Domain Chitotriosidase from Serratia Marcescens at 1.9 Angstrom Resoltuion
Proc.Natl.Acad.Sci.USA, 97, 2000
8ETR
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BU of 8etr by Molmil
CryoEM Structure of NLRP3 NACHT domain in complex with G2394
Descriptor: (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Murray, J.M, Johnson, M.C.
Deposit date:2022-10-17
Release date:2022-11-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022
1E6Z
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BU of 1e6z by Molmil
CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH CATALYTIC INTERMEDIATE
Descriptor: 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
Deposit date:2000-08-23
Release date:2001-06-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase
Proc.Natl.Acad.Sci.USA, 98, 2001
7C81
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BU of 7c81 by Molmil
E30 F-particle in complex with 6C5
Descriptor: Heavy chain, Light chain, SPHINGOSINE, ...
Authors:Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
Deposit date:2020-05-28
Release date:2020-07-29
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020

238895

数据于2025-07-16公开中

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