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6PYV
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BU of 6pyv by Molmil
Crystal Structure of HLA-B*2703-P47G in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-2703 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6Q36
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BU of 6q36 by Molmil
TEAD4(216-434) complexed with optimized peptide 9 and myristoate (covalently bound) at 2.01A resolution: Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence
Descriptor: ACE-PRO-6CW-ARG-LEU-ARG-LYS-2JH-HYP-ASP-SER-PHE-ALN-LYS-GLU-PRO-NH2, MYRISTIC ACID, PHOSPHATE ION, ...
Authors:Kallen, J.
Deposit date:2018-12-03
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-based design of potent linear peptide inhibitors of the YAP-TEAD protein-protein interaction derived from the YAP omega-loop sequence.
Bioorg.Med.Chem.Lett., 29, 2019
6PV5
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BU of 6pv5 by Molmil
Structure of CpGH84B
Descriptor: 1,2-ETHANEDIOL, Putative O-GlcNAcase nagJ
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-19
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
6PYJ
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BU of 6pyj by Molmil
Crystal Structure of HLA-B*2705 in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-30
Release date:2019-12-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6PTR
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BU of 6ptr by Molmil
Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Bartonella birtlesii bound to griselimycin
Descriptor: 1,2-ETHANEDIOL, 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 (1.75 Å)
Cite:Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Bartonella birtlesii bound to griselimycin
To Be Published
6PTU
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BU of 6ptu by Molmil
Crystal Structure of Class D Beta-lactamase OXA-48 with Imipenem
Descriptor: CHLORIDE ION, Class D Carbapenemase OXA-48, Imipenem
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-07-16
Release date:2020-01-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase.
Acs Infect Dis., 6, 2020
6Q85
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BU of 6q85 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB11 in complex with the Fucose-binding lectin PA-IIL at 1.990 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 (1.99 Å)
Cite:X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
6Q8E
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BU of 6q8e by Molmil
Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum in PMP-form
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain-amino-acid aminotransferase, CHLORIDE ION
Authors:Boyko, K.M, Bezsudnova, E.Y, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Popov, V.O.
Deposit date:2018-12-14
Release date:2019-01-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and structural insights into PLP fold type IV transaminase from Thermobaculum terrenum.
Biochimie, 158, 2018
6PWI
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BU of 6pwi by Molmil
Structure of CpGH84D
Descriptor: 1,2-ETHANEDIOL, Putative hyaluronoglucosaminidase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
6QE2
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BU of 6qe2 by Molmil
Crystal structure of Paleococcus ferrophilus monoacylglycerol lipase.
Descriptor: GLYCEROL, LAURYL DIMETHYLAMINE-N-OXIDE, Monoacylglycerol lipase
Authors:Labar, G, Demarez, M, Brandt, N, Wouters, J, Leherte, F.
Deposit date:2019-01-04
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7461 Å)
Cite:Structure and Dynamics of an Archeal Monoglyceride Lipase from Palaeococcus ferrophilus as Revealed by Crystallography and In Silico Analysis.
Biomolecules, 11, 2021
6PYW
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BU of 6pyw by Molmil
Crystal Structure of HLA-B*2705-W60A in complex with LRN, a self-peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S.
Deposit date:2019-07-31
Release date:2019-11-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation.
J.Biol.Chem., 294, 2019
6Q9L
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BU of 6q9l by Molmil
HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 9 AT 1.13A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6Q9U
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BU of 6q9u by Molmil
HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, CHLORIDE ION, ...
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
7M8L
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BU of 7m8l by Molmil
EBOV GP bound to rEBOV-442 and rEBOV-515 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein 1, ...
Authors:Murin, C.D, Ward, A.B.
Deposit date:2021-03-30
Release date:2021-11-10
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Pan-ebolavirus protective therapy by two multifunctional human antibodies.
Cell, 184, 2021
4WCD
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BU of 4wcd by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 10
Descriptor: 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C.
Deposit date:2014-09-04
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
4UVD
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BU of 4uvd by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 6
Descriptor: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ...
Authors:Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
Deposit date:2014-08-05
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
4UUH
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BU of 4uuh by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ...
Authors:Oliver, A.W, Rajasekaran, M.B, Pearl, L.H.
Deposit date:2014-07-28
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1- Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
4UV8
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BU of 4uv8 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
5V4E
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BU of 5v4e by Molmil
Engineered human IgG Fc domain glyco801 (Fc801)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, W, Marshall, N, Zhang, Y.J.
Deposit date:2017-03-09
Release date:2017-06-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.216 Å)
Cite:IgG Fc domains that bind C1q but not effector Fc gamma receptors delineate the importance of complement-mediated effector functions.
Nat. Immunol., 18, 2017
4UW6
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BU of 4uw6 by Molmil
Human galectin-7 in complex with a galactose based dendron D3
Descriptor: DENDRON-D3, GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
2Y38
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BU of 2y38 by Molmil
LAMININ ALPHA5 CHAIN N-TERMINAL FRAGMENT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LAMININ SUBUNIT ALPHA-5, ...
Authors:Hussain, S.A, Carafoli, F, Hohenester, E.
Deposit date:2010-12-19
Release date:2011-02-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Determinants of Laminin Polymerisation Revealed by the Crystal Structure of the Alpha5 Chain Amino-Terminal Region
Embo Rep., 12, 2011
6VO5
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BU of 6vo5 by Molmil
Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
Descriptor: ACETATE ION, GLYCEROL, Histone H4, ...
Authors:Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-01-30
Release date:2020-03-11
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
to be published
4UUK
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BU of 4uuk by Molmil
Human dynamin 1 K44A superconstricted polymer stabilized with GTP strand 2
Descriptor: DYNAMIN-1
Authors:Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E.
Deposit date:2014-07-29
Release date:2014-08-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (12.5 Å)
Cite:A Dynamin Mutant Defines a Superconstricted Prefission State.
Cell Rep., 8, 2014
4UX2
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BU of 4ux2 by Molmil
Cryo-EM structure of antagonist-bound E2P gastric H,K-ATPase (SCH.E2. MgF)
Descriptor: POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1, POTASSIUM-TRANSPORTING ATPASE SUBUNIT BETA
Authors:Abe, K, Tani, K, Fujiyoshi, Y.
Deposit date:2014-08-18
Release date:2014-09-17
Last modified:2024-11-06
Method:ELECTRON CRYSTALLOGRAPHY (7 Å)
Cite:Systematic Comparison of Molecular Conformations of H+,K+-ATPase Reveals an Important Contribution of the A-M2 Linker for the Luminal Gating.
J.Biol.Chem., 289, 2014
5V5X
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BU of 5v5x by Molmil
Protocadherin gammaB7 EC3-6 cis-dimer structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2017-03-15
Release date:2017-11-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Protocadherin cis-dimer architecture and recognition unit diversity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

243531

數據於2025-10-22公開中

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