7UYA
 
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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5FBL
 | | PI4KB in complex with Rab11 and the MI356 Inhibitor | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ... | | Authors: | Chalupska, D, Mejdrova, I, Nencka, R, Boura, E. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.372 Å) | | Cite: | PI4KB in complex with Rab11 and the MI356 Inhibitor
To Be Published
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7UYB
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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5FBV
 | | PI4KB in complex with Rab11 and the MI364 Inhibitor | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ... | | Authors: | Chalupska, D, Mejdrova, I, Nencka, R, Boura, E. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.285 Å) | | Cite: | PI4KB in complex with Rab11 and the MI364 Inhibitor
To Be Published
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4PNW
 | | E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | | Descriptor: | (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2014-02-21 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
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7UYC
 | | Inhibitor bound VIM1 | | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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451C
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5YP2
 | | Crystal structure of dipeptidyl peptidase IV (DPP IV) with DPP4 inhibitor from Pseudoxanthomonas mexicana WO24 | | Descriptor: | (2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile, Dipeptidyl aminopeptidase 4, GLYCEROL | | Authors: | Roppongi, S, Suzuki, Y, Tateoka, C, Fuimoto, M, Morisawa, S, Iizuka, I, Nakamura, A, Honma, N, Shida, Y, Ogasawara, W, Tanaka, N, Sakamoto, Y, Nonaka, T. | | Deposit date: | 2017-11-01 | | Release date: | 2018-02-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Sci Rep, 8, 2018
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5FDF
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5AHU
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326 | | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ... | | Authors: | Yang, G, Oldfield, E, No, J.H. | | Deposit date: | 2015-02-09 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
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5OCX
 | | Crystal structure of ACPA E4 in complex with CII-C-13-CIT | | Descriptor: | 1,2-ETHANEDIOL, CII-C-13-CIT, Fab fragment anti-citrullinated protein antibody E4 - light chain, ... | | Authors: | Dobritzsch, D, Ge, C, Holmdahl, R. | | Deposit date: | 2017-07-04 | | Release date: | 2018-07-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies.
Arthritis Rheumatol, 71, 2019
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4TF4
 | | ENDO/EXOCELLULASE:CELLOPENTAOSE FROM THERMOMONOSPORA | | Descriptor: | CALCIUM ION, T. FUSCA ENDO/EXO-CELLULASE E4 CATALYTIC DOMAIN AND CELLULOSE-BINDING DOMAIN, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Sakon, J, Wilson, D.B, Karplus, P.A. | | Deposit date: | 1997-05-31 | | Release date: | 1997-09-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of endo/exocellulase E4 from Thermomonospora fusca.
Nat.Struct.Biol., 4, 1997
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7GAP
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z728939702 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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6I44
 | | Allosteric activation of human prekallikrein by apple domain disc rotation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Li, C, Pathak, M, MaCrae, K, Dreveny, I, Emsley, J. | | Deposit date: | 2018-11-09 | | Release date: | 2019-03-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J.Thromb.Haemost., 17, 2019
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4Z7H
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6L6P
 | | hASIC2a co-crystallized with Mamb-1 | | Descriptor: | Acid-sensing ion channel 2 | | Authors: | Lei, F, Jian, S. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | hASIC2a co-crystallized with Mamb-1
To Be Published
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5TB4
 | | Structure of rabbit RyR1 (EGTA-only dataset, class 4) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-11 | | Release date: | 2016-10-12 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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5JAR
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7CKI
 | | Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with chuangxinmycin and ATP | | Descriptor: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Lyu, G, Fan, S, Jin, Y, Liu, J, Zou, S, Wu, G, Yang, Z. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with chuangxinmycin and ATP
To Be Published
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7GAS
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z952016136 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-1H-benzimidazole, CHLORIDE ION, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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6I9A
 | | Porphyromonas gingivalis gingipain K (Kgp) in complex with inhibitor KYT-36 | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Gomis-Ruth, F.X, Guevara, T, Rofdriguez-Banqueri, A. | | Deposit date: | 2018-11-22 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavailable peptidase inhibitor.
Sci Rep, 9, 2019
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9E6R
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3FMK
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7GAF
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z183352334 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7GAC
 | | PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with Z1456069604 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated proteins 1A/1B light chain 3B, ... | | Authors: | Kumar, A, Marples, P.G, Tomlinson, C.W.E, Fearon, D, von-Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-08-10 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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