6EVN
 
 | | Crystal structure of peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase complex with Pro-Pro-Gly-Pro-Ala-Gly-Pro-Pro-Gly. | | Descriptor: | DIMETHYL SULFOXIDE, PRO-PRO-GLY-PRO-ALA-GLY-PRO-PRO-GLY, Prolyl 4-hydroxylase subunit alpha-2, ... | | Authors: | Murthy, A.V, Sulu, R, Koski, M.K, Wierenga, R.K. | | Deposit date: | 2017-11-02 | | Release date: | 2018-09-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural enzymology binding studies of the peptide-substrate-binding domain of human collagen prolyl 4-hydroxylase (type-II): High affinity peptides have a PxGP sequence motif.
Protein Sci., 27, 2018
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7WX7
 | | complex of a legionella acetyltransferase VipF and COA/ACO | | Descriptor: | ACETYL COENZYME *A, COENZYME A, N-acetyltransferase | | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | | Deposit date: | 2022-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
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6F3I
 | | IRAK4 IN COMPLEX WITH inhibitor | | Descriptor: | (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION | | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | Deposit date: | 2017-11-28 | | Release date: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
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6R3K
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | Descriptor: | (2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | | Deposit date: | 2019-03-20 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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6RAX
 | | D. melanogaster CMG-DNA, State 1B | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-11 | | Last modified: | 2019-09-18 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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5T3K
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4YGF
 | | Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ... | | Authors: | Roujeinikova, A, Modak, J.K. | | Deposit date: | 2015-02-26 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
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7KGT
 | | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234 | | Descriptor: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | Deposit date: | 2020-10-18 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021
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8AXY
 | | Staphylococcus aureus endonuclease IV orthorhombic crystal form | | Descriptor: | FE (III) ION, Probable endonuclease 4, SULFATE ION, ... | | Authors: | Rouvinski, A, Kirillov, S, Saper, M.A, Wiener, R, Isupov, M.N. | | Deposit date: | 2022-09-01 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
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4YEH
 | | Crystal structure of Mg2+ ion containing hemopexin fold from Kabuli chana (chickpea white) at 2.45A resolution reveals a structural basis of metal ion transport | | Descriptor: | Lectin, MAGNESIUM ION | | Authors: | Kumar, S, Singh, A, Yamini, S, Bhushan, A, Dey, S, Sharma, S, Singh, T.P. | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of Mg(2+) Containing Hemopexin-Fold Protein from Kabuli Chana (Chickpea-White, CW-25) at 2.45 angstrom Resolution Reveals Its Metal Ion Transport Property
Protein J., 34, 2015
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6IB6
 | | Solution structure of the water-soluble LU-domain of human Lypd6 protein | | Descriptor: | Ly6/PLAUR domain-containing protein 6 | | Authors: | Tsarev, A.V, Kulbatskii, D.S, Paramonov, A.S, Lyukmanova, E.N, Shenkarev, Z.O. | | Deposit date: | 2018-11-29 | | Release date: | 2019-12-18 | | Last modified: | 2021-01-13 | | Method: | SOLUTION NMR | | Cite: | Structural Diversity and Dynamics of Human Three-Finger Proteins Acting on Nicotinic Acetylcholine Receptors.
Int J Mol Sci, 21, 2020
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4YH3
 | | Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a) | | Descriptor: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | White, A, Lakshminarasimhan, D, Suto, R.K. | | Deposit date: | 2015-02-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
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7KTX
 | | Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to a Fab in DDM detergent | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ... | | Authors: | Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A. | | Deposit date: | 2020-11-24 | | Release date: | 2020-12-02 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients.
Elife, 9, 2020
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7S6O
 | | The crystal structure of Lys48-linked di-ubiquitin | | Descriptor: | ACETATE ION, Ubiquitin | | Authors: | Osipiuk, J, Tesar, C, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A. | | Deposit date: | 2021-09-14 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
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5KRK
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol | | Descriptor: | 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-07-07 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.391 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5CS2
 | | Crystal structure of Plasmodium falciparum diadenosine triphosphate hydrolase in complex with Cyclomarin A | | Descriptor: | CHLORIDE ION, Cyclomarin A, Histidine triad protein | | Authors: | Ostermann, N, Schmitt, E, Gerhartz, B, Hinniger, A, Delmas, C. | | Deposit date: | 2015-07-23 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Gift from Nature: Cyclomarin A Kills Mycobacteria and Malaria Parasites by Distinct Modes of Action.
Chembiochem, 16, 2015
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7S6P
 | | The crystal structure of human ISG15 | | Descriptor: | Ubiquitin-like protein ISG15 | | Authors: | Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-09-14 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
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5FNM
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | Descriptor: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, ZINC ION | | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2015-11-15 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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2WXV
 | | Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | | Authors: | Traquandi, G, Ciomei, M, Ballinari, D, Casale, E, Colombo, N, Croci, V, Fiorentini, F, Isacchi, A, Longo, A, Mercurio, C, Panzeri, A, Pastori, W, Pevarello, P, Volpi, D, Roussel, P, Vulpetti, A, Brasca, M.G. | | Deposit date: | 2009-11-10 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Potent Pyrazolo[4,3-H]Quinazoline-3-Carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
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5FNS
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | Deposit date: | 2015-11-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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5FNU
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | Descriptor: | (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | Deposit date: | 2015-11-16 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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3LTN
 | | Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (S. pneumoniae) | | Descriptor: | 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', ... | | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2010-02-16 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
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6BG0
 | | Caspase-3 Mutant - D9A,D28A,S150D | | Descriptor: | AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, Caspase-3, ... | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-27 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (2.125 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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7KMU
 | | Structure of WT Malaysian Banana Lectin | | Descriptor: | 1,2-ETHANEDIOL, Jacalin-type lectin domain-containing protein | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2020-11-03 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity.
Sci Rep, 11, 2021
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5FSJ
 | | Structure of thermolysin prepared by the 'soak-and-freeze' method under 45 bar of oxygen pressure | | Descriptor: | CALCIUM ION, LYSINE, OXYGEN MOLECULE, ... | | Authors: | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | | Deposit date: | 2016-01-06 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.201 Å) | | Cite: | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology.
J.Appl.Crystallogr., 49, 2016
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