PDB: 7742 resultsInfo pagesStatus searchChemie searchBIRD

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5FBZ	Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A Descriptor: Autoproteolytic fragment of enzyme subtilase SubHal, CALCIUM ION, Enzyme subtilase SubHal from Bacillus halmapalus, ... Authors: Dohnalek, J, Brzozowski, A.M, Svendsen, A, Wilson, K.S. Deposit date: 2015-12-14 Release date: 2016-05-18 Last modified: 2024-07-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family Book, 2016
2GIR	Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-1 inhibitor Descriptor: 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA-directed RNA polymerase Authors: Harris, S.F. Deposit date: 2006-03-29 Release date: 2007-04-03 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus. J.Virol., 80, 2006
2GIQ	Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-2 inhibitor Descriptor: 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE, RNA-directed RNA polymerase Authors: Harris, S.F. Deposit date: 2006-03-29 Release date: 2007-04-03 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus. J.Virol., 80, 2006
8SOV	Proteinase K Multiconformer Model at 353K Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... Authors: Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. Deposit date: 2023-04-30 Release date: 2023-08-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.291 Å) Cite: Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
8SPL	Proteinase K Multiconformer Model at 343K Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... Authors: Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. Deposit date: 2023-05-03 Release date: 2023-08-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.21 Å) Cite: Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
8SOU	Proteinase K Multiconformer Model at 363K Descriptor: ALA-ALA-ALA-SER-VAL-LYS, CALCIUM ION, Proteinase K, ... Authors: Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. Deposit date: 2023-04-30 Release date: 2023-08-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
8SQV	Proteinase K Multiconformer Model at 333K Descriptor: CALCIUM ION, Proteinase K, SULFATE ION Authors: Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. Deposit date: 2023-05-04 Release date: 2023-08-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.22 Å) Cite: Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
8SOG	Proteinase K Multiconformer Model at 313K Descriptor: CALCIUM ION, Proteinase K, SULFATE ION Authors: Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. Deposit date: 2023-04-28 Release date: 2023-08-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
5O2D	PARP14 Macrodomain 2 with inhibitor Descriptor: Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide Authors: Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC) Deposit date: 2017-05-20 Release date: 2017-11-08 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14. ACS Chem. Biol., 12, 2017
5OPH	G-quadruplex structure of DNA oligonucleotide containing GGGGCC repeats linked to ALS and FTD Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*CP*CP*GP*GP*(BGM)P*G)-3') Authors: Brcic, J, Plavec, J. Deposit date: 2017-08-09 Release date: 2018-08-29 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: NMR structure of a G-quadruplex formed by four d(G4C2) repeats: insights into structural polymorphism. Nucleic Acids Res., 46, 2018
7D49	X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Wan, Q, Dealwis, C. Deposit date: 2020-09-23 Release date: 2021-06-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.651 Å) Cite: Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D3Z	X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Wan, Q, Dealwis, C. Deposit date: 2020-09-21 Release date: 2021-06-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D4X	X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0 Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Wan, Q, Dealwis, C. Deposit date: 2020-09-24 Release date: 2021-06-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.599 Å) Cite: Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D6G	Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5 Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... Authors: Wan, Q, Dealwis, C. Deposit date: 2020-09-30 Release date: 2021-06-09 Last modified: 2024-04-03 Method: NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION Cite: Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D4L	X-ray crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH7.0 Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... Authors: Wan, Q, Dealwis, C. Deposit date: 2020-09-24 Release date: 2021-06-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid-Base Catalysis Acs Catalysis, 11, 2021
7D2K	Crystal structure of rat TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a Descriptor: 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 Authors: Singh, A.K, Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. Deposit date: 2020-09-16 Release date: 2021-10-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (3.698 Å) Cite: Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
5BWY	Structure of proplasmepsin II from Plasmodium falciparum, Space Group P43212 Descriptor: Plasmepsin-2 Authors: Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. Deposit date: 2015-06-08 Release date: 2015-12-16 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.644 Å) Cite: Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins. Acta Crystallogr F Struct Biol Commun, 72, 2016
5FFN	Complex of subtilase SubTY from Bacillus sp. TY145 with chymotrypsin inhibitor CI2A Descriptor: CALCIUM ION, Enzyme subtilase SubTY from Bacillus sp. TY145, SODIUM ION, ... Authors: McAuley, K.E, Svendsen, A, Oestergaard, P.R, Dohnalek, J, Wilson, K.S. Deposit date: 2015-12-18 Release date: 2016-05-18 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family Book, 2016
3V7O	Crystal structure of the C-terminal domain of Ebola virus VP30 (strain Reston-89) Descriptor: 1,2-ETHANEDIOL, Minor nucleoprotein VP30 Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-12-21 Release date: 2012-02-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Structure of the Reston ebolavirus VP30 C-terminal domain. Acta Crystallogr F Struct Biol Commun, 70, 2014
3VAW	Crystal structure of a smt fusion peptidyl-prolyl cis-trans isomerase with surface mutation v3i from burkholderia pseudomallei complexed with fk506 Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, Ubiquitin-like protein SMT3,Peptidyl-prolyl cis-trans isomerase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-12-29 Release date: 2012-01-18 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.55 Å) Cite: A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins. Antimicrob.Agents Chemother., 58, 2014
7U63	Crystal Structure Anti-Oxycodone Antibody HY2-A12 Fab Complexed with Oxycodone Descriptor: 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one, HY2-A12 Fab Heavy Chain, HY2-A12 Fab Light Chain Authors: Rodarte, J.V, Pancera, M.P, Weidle, C, Rupert, P.B, Strong, R.K. Deposit date: 2022-03-03 Release date: 2023-01-11 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding. Structure, 31, 2023
4H6T	Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A Descriptor: PHOSPHATE ION, Prothrombin Authors: Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E. Deposit date: 2012-09-19 Release date: 2013-03-13 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
4RN6	Structure of prethrombin-2 mutant s195a bound to the active site inhibitor argatroban Descriptor: (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid, Thrombin heavy chain Authors: Pozzi, N, Chen, Z, Zapata, F, Niu, W, Barranco-Medina, S, Pelc, L.A, Di Cera, E. Deposit date: 2014-10-23 Release date: 2014-11-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
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: 2024-01-24 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
1ESC	THE MOLECULAR MECHANISM OF ENANTIORECOGNITION BY ESTERASES Descriptor: ESTERASE Authors: Wei, Y, Schottel, J.L, Derewenda, U, Swenson, L, Patkar, S, Derewenda, Z.S. Deposit date: 1994-10-07 Release date: 1995-10-15 Last modified: 2019-08-14 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A novel variant of the catalytic triad in the Streptomyces scabies esterase. Nat.Struct.Biol., 2, 1995

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