4B6P
| Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid | Descriptor: | (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2012-08-14 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids. ACS Chem. Biol., 8, 2013
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4B79
| THE AEROPATH PROJECT AND PSEUDOMONAS AERUGINOSA HIGH-THROUGHPUT CRYSTALLOGRAPHIC STUDIES FOR ASSESSMENT OF POTENTIAL TARGETS IN EARLY STAGE DRUG DISCOVERY. | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROBABLE SHORT-CHAIN DEHYDROGENASE | Authors: | Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H. | Deposit date: | 2012-08-16 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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4B2X
| Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-07-18 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4AUQ
| Structure of BIRC7-UbcH5b-Ub complex. | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 7, POLYUBIQUITIN-C, UBIQUITIN-CONJUGATING ENZYME E2 D2, ... | Authors: | Dou, H, Buetow, L, Sibbet, G.J, Cameron, K, Huang, D.T. | Deposit date: | 2012-05-21 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.176 Å) | Cite: | Birc7-E2 Ubiquitin Conjugate Structure Reveals the Mechanism of Ubiquitin Transfer by a Ring Dimer. Nat.Struct.Mol.Biol., 19, 2012
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7XCT
| Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 2:1 complex | Descriptor: | DNA (145-MER), Histone H2A, Histone H2B type 1-K, ... | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | Deposit date: | 2022-03-25 | Release date: | 2022-04-20 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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7XD0
| cryo-EM structure of H2BK34ub nucleosome | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B type 1-K, ... | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | Deposit date: | 2022-03-26 | Release date: | 2022-04-20 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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7XD1
| cryo-EM structure of unmodified nucleosome | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | Deposit date: | 2022-03-26 | Release date: | 2022-04-20 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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7XCR
| Cryo-EM structure of Dot1L and H2BK34ub-H3K79Nle nucleosome 1:1 complex | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B type 1-K, ... | Authors: | Ai, H.S, Liu, A.J, Lou, Z.Y, Liu, L. | Deposit date: | 2022-03-25 | Release date: | 2022-04-20 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | H2B Lys34 Ubiquitination Induces Nucleosome Distortion to Stimulate Dot1L Activity. Nat.Chem.Biol., 18, 2022
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4AVD
| C.lacteus nerve Hb in complex with CO | Descriptor: | ACETATE ION, CARBON MONOXIDE, GLYCEROL, ... | Authors: | Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M. | Deposit date: | 2012-05-25 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States. Int.J.Mol.Sci., 13, 2012
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4AVX
| Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) bound to an IP2 compound at 1.68 A Resolution | Descriptor: | 1,2-ETHANEDIOL, HEPATOCYTE GROWTH FACTOR-REGULATED TYROSINE KINASE SUBSTRATE, PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER, ... | Authors: | Williams, E, Canning, P, Shrestha, L, Krojer, T, Vollmar, M, Slowey, A, Conway, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A. | Deposit date: | 2012-05-30 | Release date: | 2012-06-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal Structure of the Tandem Vhs and Fyve Domains of Hepatocyte Growth Factor-Regulated Tyrosine Kinase Substrate (Hgs-Hrs) Bound to an Ip2 Compound at 1.68 A Resolution To be Published
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4BHU
| Crystal structure of BslA - A bacterial hydrophobin | Descriptor: | CHLORIDE ION, GLYCEROL, UNCHARACTERIZED PROTEIN YUAB | Authors: | Rao, F.V, Hobley, L, Ostrowski, A, Bromley, K.M, Porter, M, Prescott, A.R, Swedlow, J.R, MacPhee, C.E, van Aalten, D.M.F, Stanley-Wall, N.R. | Deposit date: | 2013-04-08 | Release date: | 2013-08-14 | Last modified: | 2013-08-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Bsla is a Self-Assembling Bacterial Hydrophobin that Coats the Bacillus Subtilis Biofilm. Proc.Natl.Acad.Sci.USA, 110, 2013
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4BD1
| Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE | Authors: | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | Deposit date: | 2012-10-04 | Release date: | 2013-01-16 | Last modified: | 2017-03-22 | Method: | NEUTRON DIFFRACTION (2.002 Å) | Cite: | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
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4BDT
| Human acetylcholinesterase in complex with huprine W and fasciculin 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ... | Authors: | Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y. | Deposit date: | 2012-10-06 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase. Biochem. J., 453, 2013
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4BLG
| Crystal structure of MHV-68 Latency-associated nuclear antigen (LANA) C-terminal DNA binding domain | Descriptor: | LATENCY-ASSOCIATED NUCLEAR ANTIGEN, PHOSPHATE ION | Authors: | Correia, B, Cerqueira, S.A, Beauchemin, C, Pires De Miranda, M, Li, S, Ponnusamy, R, Rodrigues, L, Schneider, T.R, Carrondo, M.A, Kaye, K.M, Simas, J.P, McVey, C.E. | Deposit date: | 2013-05-02 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Gamma-2 Herpesvirus Lana DNA Binding Domain Identifies Charged Surface Residues which Impact Viral Latency Plos Pathog., 9, 2013
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4BLF
| Variable internal flexibility characterizes the helical capsid formed by Agrobacterium VirE2 protein on single-stranded DNA. | Descriptor: | SINGLE-STRAND DNA-BINDING PROTEIN | Authors: | Bharat, T.A.M, Zbaida, D, Eisenstein, M, Frankenstein, Z, Mehlman, T, Weiner, L, Sorzano, C.O.S, Barak, Y, Albeck, S, Briggs, J.A.G, Wolf, S.G, Elbaum, M. | Deposit date: | 2013-05-02 | Release date: | 2013-06-26 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Variable Internal Flexibility Characterizes the Helical Capsid Formed by Agrobacterium Vire2 Protein on Single-Stranded DNA. Structure, 21, 2013
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4AZE
| Human DYRK1A in complex with Leucettine L41 | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2012-06-25 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4B6U
| Solution structure of eIF4E3 in complex with m7GDP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 3 | Authors: | Osborne, M.J, Volpon, L, Kornblatt, J.A, Culkjovic-Kraljcic, B, Baguet, A, Borden, K.L.B. | Deposit date: | 2012-08-15 | Release date: | 2013-03-06 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Eif4E3 Acts as a Tumor Suppressor by Utilizing an Atypical Mode of Methyl-7-Guanosine CAP Recognition Proc.Natl.Acad.Sci.USA, 110, 2013
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4B6V
| The third member of the eIF4E family represses gene expression via a novel mode of recognition of the methyl-7 guanosine cap moiety | Descriptor: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TYPE 3 | Authors: | Osborne, M.J, Volpon, L, Kornblatt, J.A, Culjkovic-Kraljcic, B, Baguet, A, Borden, K.L.B. | Deposit date: | 2012-08-15 | Release date: | 2013-02-27 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Eif4E3 Acts as a Tumor Suppressor by Utilizing an Atypical Mode of Methyl-7-Guanosine CAP Recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4AT0
| The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1 | Descriptor: | 3-KETOSTEROID-DELTA4-5ALPHA-DEHYDROGENASE, ACETATE ION, CHLORIDE ION, ... | Authors: | van Oosterwijk, N, Knol, J, Dijkhuizen, L, van der Geize, R, Dijkstra, B.W. | Deposit date: | 2012-05-03 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and Catalytic Mechanism of 3-Ketosteroid-{Delta}4-(5Alpha)-Dehydrogenase from Rhodococcus Jostii Rha1 Genome. J.Biol.Chem., 287, 2012
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4AZF
| Human DYRK2 in complex with Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ... | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2012-06-25 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4B0B
| Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pyridin-2-yloxy)aniline | Descriptor: | 3-(pyridin-2-yloxy)aniline, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Taylor, J.W, Naismith, J.H. | Deposit date: | 2012-07-01 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa. J.Mol.Biol., 425, 2013
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4B4M
| Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-07-31 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4B3W
| Crystal structure of human cytoglobin H(E7)Q mutant | Descriptor: | ACETATE ION, CYANIDE ION, CYTOGLOBIN, ... | Authors: | Gabba, M, Abbruzzetti, S, Spyrakis, F, Forti, F, Bruno, S, Mozzarelli, A, Luque, F.J, Viappiani, C, Cozzini, P, Nardini, M, Germani, F, Bolognesi, M, Moens, L, Dewilde, S. | Deposit date: | 2012-07-26 | Release date: | 2013-01-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Co Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin. Plos One, 8, 2013
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7MDJ
| The structure of KcsA in complex with a synthetic Fab | Descriptor: | Fab heavy chain, Fab light chain, POTASSIUM ION, ... | Authors: | Rohaim, A, Slezak, T, Blackowicz, L, Kossiakoff, A, Roux, B. | Deposit date: | 2021-04-05 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Engineering of a synthetic antibody fragment for structural and functional studies of K+ channels. J.Gen.Physiol., 154, 2022
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4BD0
| X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1, SULFATE ION | Authors: | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | Deposit date: | 2012-10-04 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.207 Å) | Cite: | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
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