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6N4L
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BU of 6n4l by Molmil
Dithionite-reduced ADP-bound form of the nitrogenase Fe-protein from A. vinelandii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Wenke, B.B, Spatzal, T, Rees, D.C.
Deposit date:2018-11-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
6MVO
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BU of 6mvo by Molmil
HCV NS5B 1A Y316 bound to Compound 49
Descriptor: 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION
Authors:Williams, S.P, Kahler, K, Price, D.J, Peat, A.J.
Deposit date:2018-10-26
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
8PQO
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BU of 8pqo by Molmil
PITP in complex with the inhibitor VT01545
Descriptor: GLYCEROL, IMIDAZOLE, Inhibitor VT01545, ...
Authors:Boura, E, Eisenreichova, A.
Deposit date:2023-07-11
Release date:2024-05-08
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:PITP in complex with the inhibitor VT01545
To Be Published
6MOO
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BU of 6moo by Molmil
Co-Crystal structure of P. aeruginosa LpxC-achn975 complex
Descriptor: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
3RL1
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BU of 3rl1 by Molmil
HIV RT derived peptide complexed to HLA-A*0301
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-3 alpha chain, ...
Authors:Zhang, S, Liu, J, Cheng, H, Tan, S, Qi, J, Yan, J, Gao, G.F.
Deposit date:2011-04-19
Release date:2012-02-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of cross-allele presentation by HLA-A*0301 and HLA-A*1101 revealed by two HIV-derived peptide complexes
Mol.Immunol., 49, 2011
6MQO
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BU of 6mqo by Molmil
Structure of HIV-1 CA G208R
Descriptor: Capsid protein, IODIDE ION
Authors:Smaga, S.S, Xiong, Y.
Deposit date:2018-10-10
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:MxB Restricts HIV-1 by Targeting the Tri-hexamer Interface of the Viral Capsid.
Structure, 27, 2019
6MRN
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BU of 6mrn by Molmil
Crystal Structure of ChlaDUB2 DUB domain
Descriptor: Deubiquitinase and deneddylase Dub2
Authors:Hausman, J.M, Das, C.
Deposit date:2018-10-15
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Two Deubiquitinating Enzymes fromChlamydia trachomatisHave Distinct Ubiquitin Recognition Properties.
Biochemistry, 59, 2020
3RNI
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BU of 3rni by Molmil
CDK2 in complex with inhibitor RC-3-86
Descriptor: 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-22
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
6N4M
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BU of 6n4m by Molmil
IDS-oxidized ADP-bound form of the nitrogenase Fe-protein from A. vinelandii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Wenke, B.B, Spatzal, T, Rees, D.C.
Deposit date:2018-11-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
6MRA
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BU of 6mra by Molmil
Diversity in the type II Natural Killer T cell receptor repertoire and antigen specificity leads to differing CD1d docking strategies
Descriptor: TCR alpha chain, TCR beta-chain
Authors:Sundararaj, S, Le Nours, J, Praveena, T, Rossjohn, J.
Deposit date:2018-10-12
Release date:2019-09-18
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Distinct CD1d docking strategies exhibited by diverse Type II NKT cell receptors.
Nat Commun, 10, 2019
3SP3
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BU of 3sp3 by Molmil
Lysozyme in 20% sucrose
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION, ...
Authors:Sharma, P, Solanki, A.K, Ashish
Deposit date:2011-07-01
Release date:2011-07-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Lysozyme in 20% sucrose
to be published
6MTK
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BU of 6mtk by Molmil
Crystal structure of Tryptophanyl-tRNA synthetase from Elizabethkingia anophelis NUHP1
Descriptor: Tryptophanyl-tRNA synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-19
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Tryptophanyl-tRNA synthetase from Elizabethkingia anophelis NUHP1
To be Published
3SQQ
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BU of 3sqq by Molmil
CDK2 in complex with inhibitor RC-3-96
Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-07-06
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
6MWF
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BU of 6mwf by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0459
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-29
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
3NFN
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BU of 3nfn by Molmil
Recognition of peptide-MHC by a V-delta/V-beta TCR
Descriptor: 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Shi, Y, Qi, J, Gao, F, Gao, G.F.
Deposit date:2010-06-10
Release date:2011-07-13
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Plasticity of human CD8 alpha alpha binding to peptide-HLA-A*2402
Mol.Immunol., 48, 2011
3SWQ
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BU of 3swq by Molmil
E. Cloacae MurA in complex with Enolpyruvyl-UNAG
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2011-07-14
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
6N4J
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BU of 6n4j by Molmil
Ti(III)citrate-reduced, nucleotide-free form of the nitrogenase Fe-protein from A. vinelandii
Descriptor: IRON/SULFUR CLUSTER, Nitrogenase iron protein 1
Authors:Wenke, B.B, Spatzal, T, Rees, D.C.
Deposit date:2018-11-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
6N4K
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BU of 6n4k by Molmil
Dithionite-reduced nucleotide-free form of the nitrogenase Fe-protein from A. vinelandii
Descriptor: IRON/SULFUR CLUSTER, Nitrogenase iron protein 1
Authors:Wenke, B.B, Spatzal, T, Rees, D.C.
Deposit date:2018-11-19
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Site-Specific Oxidation State Assignments of the Iron Atoms in the [4Fe:4S]2+/1+/0States of the Nitrogenase Fe-Protein.
Angew. Chem. Int. Ed. Engl., 58, 2019
3NFE
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BU of 3nfe by Molmil
The crystal structure of hemoglobin I from trematomus newnesi in deoxygenated state
Descriptor: Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L.
Deposit date:2010-06-10
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:An order-disorder transition plays a role in switching off the root effect in fish hemoglobins.
J.Biol.Chem., 285, 2010
6MRL
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BU of 6mrl by Molmil
Cucumber Leaf Spot Virus
Descriptor: CALCIUM ION, p41
Authors:Sherman, M.B, Smith, T.J.
Deposit date:2018-10-14
Release date:2019-10-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Near-Atomic-Resolution Cryo-Electron Microscopy Structures of Cucumber Leaf Spot Virus and Red Clover Necrotic Mosaic Virus: Evolutionary Divergence at the Icosahedral Three-Fold Axes.
J.Virol., 94, 2020
6NCS
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BU of 6ncs by Molmil
Crystal structure of N-acetylneuraminic acid (Sialic acid) synthetase from Leptospira borgpetersenii serovar Hardjo-bovis in complex with citrate
Descriptor: ACETATE ION, CITRIC ACID, D(-)-TARTARIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-12
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of N-acetylneuraminic acid (Sialic acid) synthetase from Leptospira borgpetersenii serovar Hardjo-bovis in complex with citrate
to be published
6NEF
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BU of 6nef by Molmil
Outer Membrane Cytochrome S Filament from Geobacter Sulfurreducens
Descriptor: C-type cytochrome OmcS, HEME C, MAGNESIUM ION
Authors:Filman, D.J, Marino, S.F, Ward, J.E, Yang, L, Mester, Z, Bullitt, E, Lovley, D.R, Strauss, M.
Deposit date:2018-12-17
Release date:2019-07-03
Last modified:2019-09-11
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Cryo-EM reveals the structural basis of long-range electron transport in a cytochrome-based bacterial nanowire.
Commun Biol, 2, 2019
6NF3
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BU of 6nf3 by Molmil
Structure of the Monoclinic-3 (Monocln-3) Crystal Form of Human Apolipoprotein C1
Descriptor: Apolipoprotein C-I
Authors:McPherson, A, Larson, S.B.
Deposit date:2018-12-18
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
6NDR
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BU of 6ndr by Molmil
Crystal structure of dTDP-6-deoxy-D-glucose-3,5-epimerase RmlC from Legionella pneumophila Philadelphia 1 in complex with dTDP-4-KETO-L-RHAMNOSE
Descriptor: 1,2-ETHANEDIOL, DTDP-4-KETO-L-RHAMNOSE, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-14
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of dTDP-6-deoxy-D-glucose-3,5-epimerase RmlC from Legionella pneumophila Philadelphia 1 in complex with dTDP-4-KETO-L-RHAMNOSE
to be published
8QBJ
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BU of 8qbj by Molmil
Structure of mBaoJin at pH 4.6
Descriptor: CHLORIDE ION, mBaoJin
Authors:Samygina, V.R, Vlaskina, A.V, Gabdulkhakov, A, Subach, O.M, Subach, F.V.
Deposit date:2023-08-24
Release date:2023-12-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bright and stable monomeric green fluorescent protein derived from StayGold.
Nat.Methods, 21, 2024

224004

數據於2024-08-21公開中

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