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PDB: 51630 results

5MRP
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BU of 5mrp by Molmil
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2)
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
8DEE
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BU of 8dee by Molmil
Asymmetric Unit of Western Equine Encephalitis Virus
Descriptor: Capsid protein, Spike glycoprotein E1, Spike glycoprotein E2
Authors:Pletnev, S, Verardi, R, Roedeger, M, Kwong, P.
Deposit date:2022-06-20
Release date:2023-07-05
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
8DEF
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BU of 8def by Molmil
Cryo-EM Structure of Western Equine Encephalitis Virus VLP in complex with SKW24 fab
Descriptor: SKW24 Fab heavy chain, SKW24 Fab light chain, Spike glycoprotein E1, ...
Authors:Pletnev, S, Tsybovsky, Y, Verardi, R, Roedeger, M, Kwong, P.D.
Deposit date:2022-06-20
Release date:2023-07-05
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Vaccine elicitation and structural basis for antibody protection against alphaviruses.
Cell, 186, 2023
5CM1
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BU of 5cm1 by Molmil
X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
Descriptor: Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-16
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
To Be Published
5CMA
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BU of 5cma by Molmil
Anti-B7-H3 monoclonal antibody ch8H9 Fab fragment
Descriptor: Antibody ch8H9 Fab heavy chain, Antibody ch8H9 Fab light chain
Authors:Ahmed, M, Goldgur, Y, Cheng, M, Cheung, N.K.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Humanized Affinity-matured Monoclonal Antibody 8H9 Has Potent Antitumor Activity and Binds to FG Loop of Tumor Antigen B7-H3.
J.Biol.Chem., 290, 2015
6BBE
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BU of 6bbe by Molmil
Structure of N-glycosylated porcine surfactant protein-D
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:van Eijk, M, Rynkiewicz, M.J, Khatri, K, Leymarie, N, Zaia, J, White, M.R, Hartshorn, K.L, Cafarella, T.R, van Die, I, Hessing, M, Seaton, B.A, Haagsman, H.P.
Deposit date:2017-10-18
Release date:2018-05-23
Last modified:2021-03-24
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Lectin-mediated binding and sialoglycans of porcine surfactant protein D synergistically neutralize influenza A virus.
J. Biol. Chem., 293, 2018
1WN5
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BU of 1wn5 by Molmil
Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Cacodylic Acid
Descriptor: Blasticidin-S deaminase, CACODYLATE ION, ZINC ION
Authors:Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T.
Deposit date:2004-07-27
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
6T0Q
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BU of 6t0q by Molmil
Pleurotus Ostreatus Lectin (POL), apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Destefanis, L, Perduca, M, Bovi, M, Monaco, H.L, Capaldi, S.
Deposit date:2019-10-03
Release date:2020-02-19
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and properties of the oyster mushroom (Pleurotus ostreatus) lectin.
Glycobiology, 30, 2020
6T1D
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BU of 6t1d by Molmil
Pleurotus Ostreatus Lectin (POL), compelx with melibiose
Descriptor: CALCIUM ION, Lectin, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose
Authors:Destefanis, L, Perduca, M, Bovi, M, Monaco, H.L, Capaldi, S.
Deposit date:2019-10-04
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and properties of the oyster mushroom (Pleurotus ostreatus) lectin.
Glycobiology, 30, 2020
7PVO
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BU of 7pvo by Molmil
Adenylosuccinate Synthetase from H. pylori in complex with IMP
Descriptor: Adenylosuccinate synthetase, INOSINIC ACID, SULFATE ION
Authors:Narczyk, M, Bzowska, A, Maksymiuk, W.
Deposit date:2021-10-05
Release date:2022-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The pursuit of new alternative ways to eradicate Helicobacter pylori continues: Detailed characterization of interactions in the adenylosuccinate synthetase active site.
Int.J.Biol.Macromol., 226, 2023
6V4J
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BU of 6v4j by Molmil
Structure of TrkH-TrkA in complex with ATP
Descriptor: Potassium uptake protein TrkA, Trk system potassium uptake protein TrkH
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
6V4L
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BU of 6v4l by Molmil
Structure of TrkH-TrkA in complex with ATPgammaS
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Potassium uptake protein TrkA, Trk system potassium uptake protein TrkH
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020
2QIM
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BU of 2qim by Molmil
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Cytokinin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, CALCIUM ION, GLYCEROL, ...
Authors:Fernandes, H.C, Pasternak, O, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M.
Deposit date:2007-07-05
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Lupinus luteus pathogenesis-related protein as a reservoir for cytokinin.
J.Mol.Biol., 378, 2008
5JPX
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BU of 5jpx by Molmil
Solution structure of the TRIM21 B-box2 (B2)
Descriptor: E3 ubiquitin-protein ligase TRIM21, ZINC ION
Authors:Wallenhammar, A, Anandapadamanaban, M, Sunnerhagen, M.
Deposit date:2016-05-04
Release date:2017-08-09
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution NMR structure of the TRIM21 B-box2 and identification of residues involved in its interaction with the RING domain.
PLoS ONE, 12, 2017
5C0L
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BU of 5c0l by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2
Descriptor: 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
Deposit date:2015-06-12
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
6F9N
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BU of 6f9n by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CPSF160-WDR33 COMPLEX
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, pre-mRNA 3' end processing protein WDR33
Authors:Clerici, M, Jinek, M.
Deposit date:2017-12-14
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the assembly and polyA signal recognition mechanism of the human CPSF complex.
Elife, 6, 2017
6FCJ
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BU of 6fcj by Molmil
Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Descriptor: 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Arxiv, 2019
7T0H
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BU of 7t0h by Molmil
Crystal structure of S25-39 Fab Unliganded 2
Descriptor: BROMIDE ION, S25-39 Fab heavy chain, S25-39 Fab light chain
Authors:Legg, M.S.G, Blackler, R.J, Evans, S.V.
Deposit date:2021-11-29
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Antigen binding by conformational selection in near-germline antibodies.
J.Biol.Chem., 298, 2022
7AI8
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BU of 7ai8 by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by still serial crystallography on a COC membrane at a synchrotron source
Descriptor: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
Authors:Aurelius, O, John, J, Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Hogbom, M, Wang, M, Marsh, M.
Deposit date:2020-09-26
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
7AI9
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BU of 7ai9 by Molmil
Structure of Ribonucleotide reductase R2 from Escherichia coli collected by rotation serial crystallography on a COC membrane at a synchrotron source
Descriptor: FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta
Authors:Aurelius, O, John, J, Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Hogbom, M, Wang, M, Marsh, M.
Deposit date:2020-09-26
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
5GJG
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BU of 5gjg by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 4
Descriptor: N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(phenylcarbamoyl)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
Deposit date:2016-06-29
Release date:2016-11-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
7T0I
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BU of 7t0i by Molmil
Crystal structure of S25-39 Fab Unliganded 3
Descriptor: S25-39 Fab heavy chain, S25-39 Fab light chain
Authors:Legg, M.S.G, Blackler, R.J, Evans, S.V.
Deposit date:2021-11-29
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antigen binding by conformational selection in near-germline antibodies.
J.Biol.Chem., 298, 2022
5C3K
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BU of 5c3k by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4
Descriptor: (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
Deposit date:2015-06-17
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
6VHD
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BU of 6vhd by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, KT129 bound
Descriptor: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Esterase family protein
Authors:Fellner, M, Mace, P.D.
Deposit date:2020-01-09
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
7T0G
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BU of 7t0g by Molmil
Crystal structure of S25-39 Fab Unliganded 1
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S25-39 Fab heavy chain, S25-39 Fab light chain
Authors:Legg, M.S.G, Blackler, R.J, Evans, S.V.
Deposit date:2021-11-29
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Antigen binding by conformational selection in near-germline antibodies.
J.Biol.Chem., 298, 2022

224201

數據於2024-08-28公開中

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