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6VQE
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BU of 6vqe by Molmil
HLA-B*27:05 presenting an HIV-1 13mer peptide
Descriptor: 13-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-05
Release date:2021-02-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
6WBI
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BU of 6wbi by Molmil
Cryo-EM structure of human Pannexin 1 channel with its C-terminal tail cleaved by caspase-7, in complex with CBX
Descriptor: CARBENOXOLONE, Pannexin-1
Authors:Lu, W, Du, J, Ruan, Z.
Deposit date:2020-03-26
Release date:2020-06-03
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:Structures of human pannexin 1 reveal ion pathways and mechanism of gating.
Nature, 584, 2020
6VQD
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BU of 6vqd by Molmil
HLA-B*27:05 presenting an HIV-1 8mer peptide
Descriptor: 8-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
Authors:Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
Deposit date:2020-02-05
Release date:2021-02-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
8EQS
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BU of 8eqs by Molmil
Structure of SARS-CoV-1 Orf3a in late endosome/lysosome-like environment, MSP1D1 nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, ORF3a protein
Authors:Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E.
Deposit date:2022-10-09
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
6NWK
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BU of 6nwk by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with dexamethasone and PGC1a coregulator fragment
Descriptor: ACETYL GROUP, DEXAMETHASONE, DIMETHYL SULFOXIDE, ...
Authors:Liu, X, Ortlund, E.A.
Deposit date:2019-02-06
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids.
Mol.Pharmacol., 96, 2019
8DCI
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BU of 8dci by Molmil
Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x (inhibitor-free)
Descriptor: Protease
Authors:Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
Deposit date:2022-06-16
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics.
J.Mol.Graph.Model., 117, 2022
8DCS
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BU of 8dcs by Molmil
Cryo-EM structure of cyanopindolol-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: Cyanopindolol, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
6NXG
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BU of 6nxg by Molmil
Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor 303a
Descriptor: 1,2-ETHANEDIOL, 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one, BETA-MERCAPTOETHANOL, ...
Authors:Staker, B.L, Mayclin, S, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-02-08
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of Selective Inhibitors ofPlasmodiumN-Myristoyltransferase by High-Throughput Screening.
J.Med.Chem., 63, 2020
8DCR
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BU of 8dcr by Molmil
Cryo-EM structure of dobutamine-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: DOBUTAMINE, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
6O0N
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BU of 6o0n by Molmil
M.tb MenD with Inhibitor
Descriptor: 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase
Authors:Johnston, J.M, Ho, N.A.T, Bashiri, G, Bulloch, E.M, Nigon, L.V, Jirgis, E.M.N, Baker, E.N.
Deposit date:2019-02-16
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
4X25
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BU of 4x25 by Molmil
Structural basis for mutation-induced destabilization of Profilin 1 in ALS
Descriptor: Profilin-1
Authors:Silvas, T.V, Shandilya, S.M.D, Schiffer, C.A.
Deposit date:2014-11-25
Release date:2015-06-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural basis for mutation-induced destabilization of profilin 1 in ALS.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
8D5C
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BU of 8d5c by Molmil
anti-HIV-1 gp120-sCD4 complex antibody CG10 Fab in complex with B41-sCD4
Descriptor: CG10 Fab heavy chain, CG10 Fab light chain, Envelope glycoprotein gp160, ...
Authors:Yang, Z, Bjorkman, P.J, Gershoni, J.M.
Deposit date:2022-06-04
Release date:2022-11-16
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Antibody Recognition of CD4-Induced Open HIV-1 Env Trimers.
J.Virol., 96, 2022
4X33
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BU of 4x33 by Molmil
Structure of the Elongator cofactor complex Kti11/Kti13 at 1.45A
Descriptor: 1,2-DIMETHOXYETHANE, CHLORIDE ION, Diphthamide biosynthesis protein 3, ...
Authors:Kolaj-Robin, O, McEwen, A.G, Cavarelli, J, Seraphin, B.
Deposit date:2014-11-27
Release date:2015-01-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the Elongator cofactor complex Kti11/Kti13 provides insight into the role of Kti13 in Elongator-dependent tRNA modification.
Febs J., 282, 2015
6QXV
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BU of 6qxv by Molmil
Pink beam serial crystallography: Proteinase K, 1 us exposure, 1585 patterns merged (2 chips)
Descriptor: CALCIUM ION, CHLORIDE ION, Proteinase K, ...
Authors:Tolstikova, A, Oberthuer, D, Meents, A.
Deposit date:2019-03-08
Release date:2019-09-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
7P44
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BU of 7p44 by Molmil
Structure of CgGBE in P21212 space group
Descriptor: 1,2-ETHANEDIOL, 1,4-alpha-glucan-branching enzyme
Authors:Ballut, L, Conchou, L, Violot, S, Galisson, F, Aghajari, N.
Deposit date:2021-07-09
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Candida glabrata glycogen branching enzyme structure reveals unique features of branching enzymes of the Saccharomycetaceae phylum.
Glycobiology, 32, 2022
7P45
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BU of 7p45 by Molmil
Structure of CgGBE in P212121 space group
Descriptor: 1,2-ETHANEDIOL, 1,4-alpha-glucan-branching enzyme
Authors:Ballut, L, Conchou, L, Violot, S, Galisson, F, Aghajari, N.
Deposit date:2021-07-09
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Candida glabrata glycogen branching enzyme structure reveals unique features of branching enzymes of the Saccharomycetaceae phylum.
Glycobiology, 32, 2022
6QU5
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BU of 6qu5 by Molmil
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12
Descriptor: 1-[(3,4-dichlorophenyl)methyl]imidazole, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ...
Authors:McNae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
6QU3
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BU of 6qu3 by Molmil
Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360
Descriptor: 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ...
Authors:McNae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2019-02-26
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
8FKL
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BU of 8fkl by Molmil
Truncated form of the catalytic domain of Streptococcus mutans GtfB
Descriptor: 1,2-ETHANEDIOL, Glucosyltransferase-I, MAGNESIUM ION
Authors:Schormann, N, Deivanayagam, C.
Deposit date:2022-12-21
Release date:2023-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FIR
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BU of 8fir by Molmil
Crystal structure of TpPta, a phosphotransacetylase from Treponema pallidum
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Phosphate acetyltransferase
Authors:Brautigam, C.A, Norgard, M.V, Deka, R.K.
Deposit date:2022-12-16
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Biophysical and biochemical studies support TP0094 as a phosphotransacetylase in an acetogenic energy-conservation pathway in Treponema pallidum.
Plos One, 18, 2023
4Y2Q
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BU of 4y2q by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
Descriptor: 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y1O
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BU of 4y1o by Molmil
Oceanobacillus iheyensis group II intron domain 1
Descriptor: MAGNESIUM ION, POTASSIUM ION, group II intron, ...
Authors:Zhao, C, Rajashankar, K.R, Marcia, M, Pyle, A.M.
Deposit date:2015-02-08
Release date:2015-10-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of group II intron domain 1 reveals a template for RNA assembly.
Nat.Chem.Biol., 11, 2015
8FP3
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BU of 8fp3 by Molmil
PKCeta kinase domain in complex with compound 11
Descriptor: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type
Authors:Johnson, E.
Deposit date:2023-01-03
Release date:2023-04-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
8FP1
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BU of 8fp1 by Molmil
PKCeta kinase domain in complex with compound 2
Descriptor: (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type
Authors:Johnson, E.
Deposit date:2023-01-03
Release date:2023-04-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
7Q2F
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BU of 7q2f by Molmil
mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT585
Descriptor: 1,2-ETHANEDIOL, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Maveyraud, L, Galy, R, Mourey, L.
Deposit date:2021-10-25
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis : A Crystallographic and Molecular Modelling Study.
Pharmaceuticals, 14, 2021

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數據於2025-10-15公開中

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