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7VZ2
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BU of 7vz2 by Molmil
Crystal structure of chromodomain of Arabidopsis LHP1
Descriptor: Chromo domain-containing protein LHP1, UNKNOWN ATOM OR ION
Authors:Liu, Y, Min, J.
Deposit date:2021-11-15
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the recognition of methylated histone H3 by the Arabidopsis LHP1 chromodomain.
J.Biol.Chem., 298, 2022
5ULV
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BU of 5ulv by Molmil
Malate dehydrogenase from Methylobacterium extorquens
Descriptor: CALCIUM ION, Malate dehydrogenase
Authors:Gonzalez, J.M.
Deposit date:2017-01-25
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Conformational changes on substrate binding revealed by structures of Methylobacterium extorquens malate dehydrogenase.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8W0W
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BU of 8w0w by Molmil
Crystal structure of broadly neutralizing antibody hcab64 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Flyak, A.I, Wilcox, X.E.
Deposit date:2024-02-14
Release date:2024-03-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Convergent evolution and targeting of diverse E2 epitopes by human broadly neutralizing antibodies are associated with HCV clearance.
Immunity, 57, 2024
7NAZ
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BU of 7naz by Molmil
TPR-rich domain of EccA3 from M. smegmatis
Descriptor: 1,4-DIETHYLENE DIOXIDE, ESX-3 secretion system protein EccA3, GLYCEROL, ...
Authors:Crosskey, T.D, Wilmanns, M.
Deposit date:2021-01-25
Release date:2022-03-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of TPR-rich domain of M. smegmatis EccA3
To Be Published
7PPR
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BU of 7ppr by Molmil
The structure of UDP-glucose pyrophosphorylase from Aspergillus fumigatus
Descriptor: CHLORIDE ION, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
Authors:Morton, S, Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-09-14
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Genetic and structural validation of UDP-glucose pyrophosphorylase as a novel antifungal target against Aspergillus fumigatus
To Be Published
5UM7
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BU of 5um7 by Molmil
Crystal structure of the reduced state of the thiol-disulfide reductase SdbA from Streptococcus gordonii
Descriptor: ACETATE ION, Thioredoxin signature protein
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-01-26
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the reduced state of the thiol-disulfide reductase SdbA from Streptococcus gordonii
To Be Published
5E8N
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BU of 5e8n by Molmil
The structure of the TEIPP associated Trh4 peptide in complex with H-2D(b)
Descriptor: Beta-2-microglobulin, Ceramide synthase 5, GLYCEROL, ...
Authors:Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A.
Deposit date:2015-10-14
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
7PHJ
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BU of 7phj by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-17
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7ZC7
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BU of 7zc7 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
Descriptor: 2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Scaletti, E, Stenmark, P.
Deposit date:2022-03-25
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012941
To Be Published
6N6T
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BU of 6n6t by Molmil
OXA-23 mutant F110A/M221A low pH form
Descriptor: Beta-lactamase oxa23, CITRATE ANION
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-11-27
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
7NFO
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BU of 7nfo by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17C.
Descriptor: CC-Type2-(LaId)4-I17C
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6N7C
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BU of 6n7c by Molmil
Structure of the human JAK1 kinase domain with compound 56
Descriptor: GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Brown, D.
Deposit date:2018-11-27
Release date:2019-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
7NFZ
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BU of 7nfz by Molmil
Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ...
Authors:Marek, M.
Deposit date:2021-02-08
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
To Be Published
5E98
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BU of 5e98 by Molmil
Crystal structure of human heparanase in complex with HepMer M04S02a
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heparanase, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2015-10-14
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
7YLO
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BU of 7ylo by Molmil
Conversion of indole-3-acetic acid into indole-3-aldehyde in bacteria Metabolic network of tryptophan around the indole-3-aldehyde formation
Descriptor: Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Cheng, J, Luo, Y, Zhu, J, Tan, R, Wang, N, Lebedev, A.A.
Deposit date:2022-07-26
Release date:2023-07-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Conversion of indole-3-acetic acid into indole-3-aldehyde in bacteria Metabolic network of tryptophan around the indole-3-aldehyde formation
To Be Published
5HGI
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BU of 5hgi by Molmil
Crystal structure of apo human IRE1 alpha
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ...
Authors:Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J.
Deposit date:2016-01-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.584 Å)
Cite:Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands.
Acs Chem.Biol., 11, 2016
5EA6
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BU of 5ea6 by Molmil
Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein
Descriptor: (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fusion glycoprotein F0, ...
Authors:Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P.
Deposit date:2015-10-15
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Molecular mechanism of respiratory syncytial virus fusion inhibitors.
Nat.Chem.Biol., 12, 2016
7PKA
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BU of 7pka by Molmil
Synechocystis sp. PCC6803 glutathione transferase Chi 1, GSOH bound
Descriptor: Glutathione S-transferase, POTASSIUM ION, S-Hydroxy-Glutathione
Authors:Didierjean, C, Mocchetti, E, Hecker, A, Favier, F.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure and functions of glutathione transferase Chi 1 from cyanobacterium Synechocystis sp. PCC 6803
To Be Published
8VEU
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BU of 8veu by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
6MYF
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BU of 6myf by Molmil
Crystal structure of free human Scribble PDZ1 domain
Descriptor: Protein scribble homolog
Authors:Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J.
Deposit date:2018-11-01
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility.
J.Cell Biol., 218, 2019
7NIJ
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BU of 7nij by Molmil
SARS-CoV-2 main protease (Mpro) in a novel conformational state.
Descriptor: 3C-like proteinase nsp5
Authors:Battistutta, R, Fornasier, E, Giachin, G.
Deposit date:2021-02-12
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A new inactive conformation of SARS-CoV-2 main protease.
Acta Crystallogr D Struct Biol, 78, 2022
8P91
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BU of 8p91 by Molmil
Hfq from Chromobacterium haemolyticum; a P6 space group monomer
Descriptor: RNA-binding protein Hfq
Authors:Nikulin, A.D, Lekontseva, N.V.
Deposit date:2023-06-05
Release date:2023-07-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Hfq from Chromobacterium haemolyticum
Crystallography Reports
7PKM
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BU of 7pkm by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
Descriptor: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[2-methyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7NLV
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BU of 7nlv by Molmil
WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II
Descriptor: 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin
Authors:Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y.
Deposit date:2021-02-22
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
5UNA
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BU of 5una by Molmil
Fragment of 7SK snRNA methylphosphate capping enzyme
Descriptor: 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, unidentified peptide section/fragment
Authors:Wu, H, Tempel, W, Dombrovski, L, McCarthy, A.A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-01-30
Release date:2017-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Fragment of 7SK snRNA methylphosphate capping enzyme
To Be Published

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數據於2024-10-30公開中

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