6QV9
 
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5VWN
 | | Triosephosphate isomerases deletion loop 3 from Trichomonas vaginalis | | Descriptor: | SODIUM ION, Triosephosphate isomerase | | Authors: | Lara-Gonzalez, S, Rojas-Mendez, K, Jimenez-Sandoval, P, Estrella-Hernandez, P, Brieba, L.G. | | Deposit date: | 2017-05-22 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A competent catalytic active site is necessary for substrate induced dimer assembly in triosephosphate isomerase.
Biochim. Biophys. Acta, 1865, 2017
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6QME
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | Descriptor: | (3~{S})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | | Authors: | Davies, T.G. | | Deposit date: | 2019-02-07 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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6QMK
 | | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | | Descriptor: | (3~{S})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | | Authors: | Davies, T.G. | | Deposit date: | 2019-02-07 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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6A5A
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5ZS3
 | | Small heat shock protein from M. marinum:Form-1 | | Descriptor: | CHLORIDE ION, GLY-ARG-LEU-LEU-PRO, Molecular chaperone (Small heat shock protein), ... | | Authors: | Bhandari, S, Suguna, K. | | Deposit date: | 2018-04-27 | | Release date: | 2019-01-30 | | Last modified: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
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2D3S
 | | Crystal Structure of basic winged bean lectin with Tn-antigen | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, ... | | Authors: | Kulkarni, K.A, Sinha, S, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2005-10-01 | | Release date: | 2006-01-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for the specificity of basic winged bean lectin for the Tn-antigen: a crystallographic, thermodynamic and modelling study
Febs Lett., 579, 2005
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5ZS6
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5UPN
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5ZUL
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5WAK
 | | Crystal Structure of a Suz12-Rbbp4 Binary Complex | | Descriptor: | Histone-binding protein RBBP4, Polycomb protein SUZ12, ZINC ION | | Authors: | Chen, S, Jiao, L, Liu, X. | | Deposit date: | 2017-06-26 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Unique Structural Platforms of Suz12 Dictate Distinct Classes of PRC2 for Chromatin Binding.
Mol. Cell, 69, 2018
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6RKO
 | | Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | | Authors: | Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H. | | Deposit date: | 2019-04-30 | | Release date: | 2019-10-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Active site rearrangement and structural divergence in prokaryotic respiratory oxidases.
Science, 366, 2019
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6A5E
 | | Crystal structure of plant peptide RALF23 in complex with FER and LLG2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GPI-anchored protein LLG2, ... | | Authors: | Xiao, Y, Chai, J. | | Deposit date: | 2018-06-23 | | Release date: | 2019-06-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.766 Å) | | Cite: | Mechanisms of RALF peptide perception by a heterotypic receptor complex.
Nature, 572, 2019
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6RS6
 | | X-ray crystal structure of LsAA9B | | Descriptor: | AA9, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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6KZE
 | | The crystal structue of PDE10A complexed with 4d | | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | | Deposit date: | 2019-09-24 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.50003481 Å) | | Cite: | Novel Potent and Highly Selective Benzoimidazole-based Phosphodiesterase 10 Inhibitors with Improved Solubility and Pharmacokinetic Properties for the Treatment of Pulmonary Arterial Hypertension
To Be Published
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6QH3
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5UKO
 | | Structure of unliganded anti-gp120 CD4bs antibody DH522IA Fab | | Descriptor: | DH522IA Fab fragment heavy chain, DH522IA Fab fragment light chain | | Authors: | Nicely, N.I. | | Deposit date: | 2017-01-23 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
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1DY6
 | | Structure of the imipenem-hydrolyzing beta-lactamase SME-1 | | Descriptor: | CARBAPENEM-HYDROLYSING BETA-LACTAMASE SME-1 | | Authors: | Sougakoff, W, L'Hermite, G, Billy, I, Guillet, V, Naas, T, Nordman, P, Jarlier, V, Delettre, J. | | Deposit date: | 2000-01-27 | | Release date: | 2001-01-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure of the Imipenem-Hydrolyzing Class a Beta-Lactamase Sme-1 from Serratia Marcescens.
Acta Crystallogr.,Sect.D, 58, 2002
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6Q4U
 | | KlenTaq DNA pol in a closed ternary complex with 7-deaza-7-(2-(2-hydroxyethoxy)-N-(prop-2-yn-1-yl)acetamide)-2-dATP | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*(DOC))-3'), ... | | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | The Structure of an Archaeal B-Family DNA Polymerase in Complex with a Chemically Modified Nucleotide.
Angew.Chem.Int.Ed.Engl., 58, 2019
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5UPI
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6A5B
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1MV8
 | | 1.55 A crystal structure of a ternary complex of GDP-mannose dehydrogenase from Psuedomonas aeruginosa | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, GDP-mannose 6-dehydrogenase, ... | | Authors: | Snook, C.F, Tipton, P.A, Beamer, L.J. | | Deposit date: | 2002-09-24 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The crystal structure of GDP-mannose
dehydrogenase: A key enzyme in alginate
biosynthesis of P. aeruginosa
Biochemistry, 42, 2003
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1A40
 | | PHOSPHATE-BINDING PROTEIN WITH ALA 197 REPLACED WITH TRP | | Descriptor: | PHOSPHATE ION, PHOSPHATE-BINDING PERIPLASMIC PROTEIN PRECURSOR | | Authors: | Ledivina, P.S, Wang, Z, Tsai, A, Koehl, E, Quiocho, F.A. | | Deposit date: | 1998-02-10 | | Release date: | 1999-03-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dominant role of local dipolar interactions in phosphate binding to a receptor cleft with an electronegative charge surface: equilibrium, kinetic, and crystallographic studies.
Protein Sci., 7, 1998
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6AF0
 | | Structure of Ctr9, Paf1 and Cdc73 ternary complex from Myceliophthora thermophila | | Descriptor: | Cdc73 protein, Ctr9 protein, Paf1 protein | | Authors: | Wang, Z, Deng, P, Zhou, Y. | | Deposit date: | 2018-08-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Transcriptional elongation factor Paf1 core complex adopts a spirally wrapped solenoidal topology.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6ALB
 | | CREBBP bromodomain in complex with Cpd 30 (1-(3-(3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | | Descriptor: | 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CREB-binding protein, ... | | Authors: | Murray, J.M. | | Deposit date: | 2017-08-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Design and Synthesis of A Biaryl Series As Inhibitors for the Bromodomains of CBP/P300
To be published
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