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6PTV
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BU of 6ptv by Molmil
Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Rickettsia rickettsii bound to griselimycin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-MVA-MP8-NZC-LEU-MP8-LEU-MVA-PRO-MLU-GLY, Beta sliding clamp
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-07-16
Release date:2019-08-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Rickettsia rickettsii bound to griselimycin
To Be Published
4V8F
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BU of 4v8f by Molmil
Crystal structure analysis of ribosomal decoding (near-cognate tRNA-ttyr complex with paromomycin).
Descriptor: 16S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Jenner, L, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2011-12-07
Release date:2014-07-09
Last modified:2019-07-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A new understanding of the decoding principle on the ribosome.
Nature, 484, 2012
6H3U
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BU of 6h3u by Molmil
Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A.
Deposit date:2018-07-19
Release date:2019-02-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.168 Å)
Cite:Orthobunyavirus spike architecture and recognition by neutralizing antibodies.
Nat Commun, 10, 2019
7RAC
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BU of 7rac by Molmil
Crystal structure of a dodecameric multicopper oxidase from M. hydrothermalis in an orthorhombic lattice
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, COPPER (II) ION, ...
Authors:Georgiadis, M.M, Ogata, C.M.
Deposit date:2021-06-30
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structures of a dodecameric multicopper oxidase from Marinithermus hydrothermalis.
Acta Crystallogr D Struct Biol, 77, 2021
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Dranow, D.M, Davies, D.R.
Deposit date:2019-08-01
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
7RAB
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BU of 7rab by Molmil
Crystal structure of a dodecameric multicopper oxidase from M. hydrothermalis in a cubic lattice
Descriptor: COPPER (II) ION, MAGNESIUM ION, multicopper oxidase
Authors:Georgiadis, M.M.
Deposit date:2021-06-30
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of a dodecameric multicopper oxidase from Marinithermus hydrothermalis.
Acta Crystallogr D Struct Biol, 77, 2021
3K43
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BU of 3k43 by Molmil
Crystal structure of sCD-MPR mutant E19Q/K137M pH 6.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Cation-dependent mannose-6-phosphate receptor, ...
Authors:Olson, L.J, Sun, G, Bohnsack, R.N, Peterson, F.C, Dahms, N.M, Kim, J.J.P.
Deposit date:2009-10-05
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intermonomer interactions are essential for lysosomal enzyme binding by the cation-dependent mannose 6-phosphate receptor.
Biochemistry, 49, 2010
6NNJ
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BU of 6nnj by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to CH31 scFv in Complex with Crystallization Chaperones 3H109L Fab and 35O22 scFv at 3.1 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2019-01-15
Release date:2019-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Improvement of antibody functionality by structure-guided paratope engraftment.
Nat Commun, 10, 2019
6Q2W
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BU of 6q2w by Molmil
Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist
Descriptor: (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L.
Deposit date:2018-12-03
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
7T0W
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BU of 7t0w by Molmil
Complex of GABA-A synaptic receptor with autoimmune antibody Fab115
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab115 Heavy Chain, IgG1, ...
Authors:Noviello, C.M, Hibbs, R.E, Kreye, J, Teng, J, Pruss, H.
Deposit date:2021-11-30
Release date:2022-07-13
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanisms of GABA A receptor autoimmune encephalitis.
Cell, 185, 2022
6PT1
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BU of 6pt1 by Molmil
Crystal Structure of Class D Beta-lactamase OXA-48 with Meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ...
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-07-14
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
7QG4
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BU of 7qg4 by Molmil
Apo crystal structure of a mutant of SN243 (D415N)
Descriptor: SN243, SULFATE ION, ZINC ION
Authors:Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
Deposit date:2021-12-07
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
7T0Z
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BU of 7t0z by Molmil
Complex of GABA-A synaptic receptor with autoimmune antibody Fab175
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab175 IgG1 heavy chain, ...
Authors:Noviello, C.M, Hibbs, R.E, Kreye, J, Teng, J, Pruss, H.
Deposit date:2021-11-30
Release date:2022-07-13
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanisms of GABA A receptor autoimmune encephalitis.
Cell, 185, 2022
6Q87
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BU of 6q87 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB10 in complex with the Fucose-binding lectin PA-IIL at 2.541 Angstrom resolution
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ...
Authors:Baeriswyl, S, Stocker, A, Reymond, J.-L.
Deposit date:2018-12-14
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
6NJY
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BU of 6njy by Molmil
Type IV CRISPR associated RNA endonuclease Cas6 - apo form
Descriptor: SULFATE ION, Type IV CRISPR associated Cas6 RNA endonuclease, beta-D-glucopyranose
Authors:Jackson, R.N, Warner, E, Olsen, K.J.
Deposit date:2019-01-04
Release date:2019-07-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis of Type IV CRISPR RNA biogenesis by a Cas6 endoribonuclease.
Rna Biol., 16, 2019
6XMR
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BU of 6xmr by Molmil
X-ray crystallographic structure model of Lactococcus lactis prolidase mutant H38S
Descriptor: Aminopeptidase P family protein, MANGANESE (II) ION
Authors:Xu, S, Grochulski, P, Tanaka, T.
Deposit date:2020-06-30
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic structure of recombinant Lactococcus lactis prolidase to support proposed structure-function relationships.
Biochim Biophys Acta Proteins Proteom, 1865, 2017
6XHX
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BU of 6xhx by Molmil
Crystal structure of the A2058-unmethylated Thermus thermophilus 70S ribosome in complex with erythromycin and protein Y (YfiA) at 2.55A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S.
Deposit date:2020-06-19
Release date:2020-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance.
Nat.Chem.Biol., 17, 2021
6Q9H
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BU of 6q9h by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 11 AT 2.0A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: (4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6PYL
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BU of 6pyl by Molmil
Crystal Structure of HLA-B*2703 in complex with KK10, an HIV peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27:03 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
8C3P
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BU of 8c3p by Molmil
Crystal structure of autotaxin gamma in complex with LPA 18:1
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2022-12-28
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
6Q9Y
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BU of 6q9y by Molmil
HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide, Protein Mdm4
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6DTS
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BU of 6dts by Molmil
Maltotetraose bound T. maritima MalE2
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
4Y4O
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BU of 4y4o by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome with rRNA modifications and bound to protein Y (YfiA) at 2.3A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Polikanov, Y.S, Melnikov, S.V, Soll, D, Steitz, T.A.
Deposit date:2015-02-10
Release date:2015-03-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the role of rRNA modifications in protein synthesis and ribosome assembly.
Nat.Struct.Mol.Biol., 22, 2015

224004

數據於2024-08-21公開中

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