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4UV4
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BU of 4uv4 by Molmil
Crystal structure of anti-FPR Fpro0165 Fab fragment
分子名称: FPRO0165 FAB
著者Douthwaite, J.A, Sridharan, S, Huntington, C, Marwood, R, Hammersley, J, Hakulinen, J.K, Ek, M, Sjogren, T, Rider, D, Privezentzev, C, Seaman, J.C, Cariuk, P, Knights, V, Young, J, Wilkinson, T, Sleeman, M, Finch, D.K, Lowe, D.C, Vaughan, T.J.
登録日2014-08-04
公開日2014-12-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Affinity Maturation of a Novel Antagonistic Human Monoclonal Antibody with a Long Vh Cdr3 Targeting the Class a Gpcr Formyl-Peptide Receptor 1.
Mabs, 7, 2015
4W8E
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BU of 4w8e by Molmil
Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342)
分子名称: 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit
著者Jasti, J, Song, X, Griffor, M, Kurumbail, R.G.
登録日2014-08-24
公開日2015-03-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
6W47
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BU of 6w47 by Molmil
Peptoid-Containing Collagen Peptide
分子名称: 1,2-ETHANEDIOL, Collagen-like peptide
著者Chenoweth, D.M, Melton, S.D.
登録日2020-03-10
公開日2020-08-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Rules for the design of aza-glycine stabilized triple-helical collagen peptides.
Chem Sci, 11, 2020
4UW4
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BU of 4uw4 by Molmil
Human galectin-7 in complex with a galactose based dendron D2-1.
分子名称: DENDRON D2-1, GALECTIN-7
著者Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
登録日2014-08-08
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.766 Å)
主引用文献Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
1KGC
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BU of 1kgc by Molmil
Immune Receptor
分子名称: T-cell receptor alpha chain, T-cell receptor beta chain
著者Kjer-Nielsen, L, Clements, C.S, Brooks, A.G, Purcell, A.W, McCluskey, J, Rossjohn, J.
登録日2001-11-26
公開日2002-12-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The 1.5 A crystal structure of a highly selected antiviral T cell receptor provides evidence for a structural basis of immunodominance
STRUCTURE, 10, 2002
4V1S
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BU of 4v1s by Molmil
Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron
分子名称: ALPHA-1,6-MANNANASE, GLYCEROL
著者Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J.
登録日2014-10-02
公開日2015-02-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
4W8T
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BU of 4w8t by Molmil
Crystal structure of truncated hemolysin A Q125S from P. mirabilis at 1.5 Angstroms resolution
分子名称: Hemolysin
著者Novak, W.R.P, Glasgow, E, Thompson, J.R, Weaver, T.M.
登録日2014-08-26
公開日2015-10-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Crystal structure of truncated hemolysin A Q125S from P. mirabilis at 1.5 Angstroms resolution
To Be Published
4USM
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BU of 4usm by Molmil
WcbL complex with glycerol bound to sugar site
分子名称: CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE
著者Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
登録日2014-07-10
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
4US6
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BU of 4us6 by Molmil
New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels
分子名称: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
著者Gavira, J.A, Conejero-Muriel, M, Diaz-Mochon, J.J, Alvarez de Cienfuegos, L.
登録日2014-07-03
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis.
Chem.Commun.(Camb.), 51, 2015
4URJ
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BU of 4urj by Molmil
Crystal structure of human BJ-TSA-9
分子名称: 1,2-ETHANEDIOL, PROTEIN FAM83A
著者Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.
登録日2014-06-30
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal Structure of Human Bj-Tsa-9
To be Published
5V4T
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BU of 5v4t by Molmil
Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii (orthorhombic form)
分子名称: 1,2-ETHANEDIOL, FE (III) ION, hypothetic aldehyde deformylating oxygenase
著者Wilson, D.K, Mak, W.S, Siegel, J.B.
登録日2017-03-10
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii (orthorhombic form)
To Be Published
4V2O
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BU of 4v2o by Molmil
Structure of saposin B in complex with chloroquine
分子名称: N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, SAPOSIN-B
著者Zubieta, C, Lai, X, Doyle, R.P.
登録日2014-10-13
公開日2015-12-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The Lysosomal Protein Saposin B Binds Chloroquine.
Chemmedchem, 11, 2016
4W8P
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BU of 4w8p by Molmil
Crystal structure of RIAM TBS1 in complex with talin R7R8 domains
分子名称: 1,2-ETHANEDIOL, Amyloid beta A4 precursor protein-binding family B member 1-interacting protein, Talin-1
著者Chang, Y.C.E, Zhang, H, Wu, J.
登録日2014-08-25
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Mechanistic Insights into the Recruitment of Talin by RIAM in Integrin Signaling.
Structure, 22, 2014
8VPN
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BU of 8vpn by Molmil
Phosphorylated human NCC in complex with indapamide
分子名称: 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 3
著者Zhao, Y.X, Cao, E.H.
登録日2024-01-16
公開日2024-09-04
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
4V0I
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BU of 4v0i by Molmil
Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta
分子名称: 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
著者Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W.
登録日2014-09-16
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56, 2016
5VH3
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BU of 5vh3 by Molmil
Crystal structure of Fab fragment of the anti-TNFa antibody infliximab in a C-centered orthorhombic crystal form
分子名称: 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain
著者Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P.
登録日2017-04-12
公開日2017-05-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Infliximab crystal structures reveal insights into self-association.
MAbs, 9, 2017
5VH4
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BU of 5vh4 by Molmil
Crystal structure of Fab fragment of anti-TNFa antibody infliximab in an I-centered orthorhombic crystal form
分子名称: 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain, ...
著者Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P.
登録日2017-04-12
公開日2017-05-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Infliximab crystal structures reveal insights into self-association.
MAbs, 9, 2017
4V05
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BU of 4v05 by Molmil
FGFR1 in complex with AZD4547.
分子名称: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ...
著者Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
登録日2014-09-10
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
4WCJ
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BU of 4wcj by Molmil
Structure of IcaB from Ammonifex degensii
分子名称: CHLORIDE ION, Polysaccharide deacetylase, ZINC ION
著者Little, D.J, Bamford, N.C, Pokrovskaya, V, Robinson, H, Nitz, M, Howell, P.L.
登録日2014-09-04
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for the De-N-acetylation of Poly-beta-1,6-N-acetyl-d-glucosamine in Gram-positive Bacteria.
J.Biol.Chem., 289, 2014
1KEW
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BU of 1kew by Molmil
The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Salmonella enterica serovar Typhimurium with thymidine diphosphate bound
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, THYMIDINE-5'-DIPHOSPHATE, ...
著者Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H.
登録日2001-11-17
公開日2002-01-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Toward a structural understanding of the dehydratase mechanism.
Structure, 10, 2002
8VTH
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BU of 8vth by Molmil
DUF2169 domain-containing protein from Vibrio xiamenensis
分子名称: 1,2-ETHANEDIOL, DUF2169 domain-containing protein
著者Sachar, K, Whitney, J.C, Prehna, G, Kim, Y.
登録日2024-01-26
公開日2025-02-12
最終更新日2025-06-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A conserved chaperone protein is required for the formation of a noncanonical type VI secretion system spike tip complex.
J.Biol.Chem., 301, 2025
8VGS
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BU of 8vgs by Molmil
CABP-bound Decameric Rubisco from Candidatus Methanofastidiosum methylthiophilus
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Kaeser, B.P, Liu, A.K, Shih, P.M.
登録日2023-12-27
公開日2025-03-19
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.14 Å)
主引用文献CABP-bound Decameric Rubisco from Candidatus Methanofastidiosum methylthiophilus
To Be Published
6CUH
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BU of 6cuh by Molmil
Crystal structure of the unliganded BC8B TCR
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Shahine, A.E, Rossjohn, J.
登録日2018-03-26
公開日2019-01-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids.
Nat Commun, 10, 2019
5UZL
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BU of 5uzl by Molmil
Brassica napus DGAT1 exosite
分子名称: O-acyltransferase
著者Acedo, J.Z, Vederas, J.C.
登録日2017-02-26
公開日2018-01-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Diacylglycerol Acyltransferase 1 Is Regulated by Its N-Terminal Domain in Response to Allosteric Effectors.
Plant Physiol., 175, 2017
9C9K
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BU of 9c9k by Molmil
Anti-OspA Fab 319-33
分子名称: 1,2-ETHANEDIOL, 319-33 monoclonal Fab Heavy Chain, 319-33 monoclonal Fab Light Chain, ...
著者Rudolph, M.J, Mantis, N.
登録日2024-06-14
公開日2025-08-27
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Anti-OspA Fab 319-33
To Be Published

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件を2025-10-22に公開中

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