3ZPS
 
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | 著者 | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | 登録日 | 2013-03-01 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors.
J.Med.Chem., 56, 2013
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3ZPU
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | 著者 | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | 登録日 | 2013-03-01 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
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3ZPT
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | 分子名称: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | 著者 | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | 登録日 | 2013-03-01 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
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7AB5
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7AB4
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7APR
 | | Bacillithiol Disulfide Reductase Bdr (YpdA) from Staphylococcus aureus | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YpdA family putative bacillithiol disulfide reductase Bdr | | 著者 | Hammerstad, M, Hersleth, H.-P. | | 登録日 | 2020-10-19 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase.
Biochemistry, 59, 2020
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7FO8
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07H06 from the F2X-Universal Library | | 分子名称: | A1 cistron-splicing factor AAR2, N-[(1E)-2-(hydroxyamino)-2-oxoethylidene]benzamide, Pre-mRNA-splicing factor 8 | | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | 登録日 | 2022-08-26 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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6HZN
 | | Crystal structure of human dermatan sulfate epimerase 1 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Hasan, M, Unge, J, Westergren-Thorsson, G, Ellervik, U, Mueller, U, Malmstrom, A, Tykesson, E. | | 登録日 | 2018-10-23 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | The structure of human dermatan sulfate epimerase 1 emphasizes the importance of C5-epimerization of glucuronic acid in higher organisms
Chem Sci, 2020
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6HCH
 | | STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.6 A RESOLUTION. | | 分子名称: | 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, CHLORIDE ION, ... | | 著者 | Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S. | | 登録日 | 2018-08-15 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
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4AC1
 | | The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl hydrolase family 18, at 1.3A resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ENDO-N-ACETYL-BETA-D-GLUCOSAMINIDASE, ... | | 著者 | Stals, I, Karkehabadi, S, Devreese, B, Kim, S, Ward, M, Sandgren, M. | | 登録日 | 2011-12-12 | | 公開日 | 2012-08-22 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | High Resolution Crystal Structure of the Endo-N-Acetyl-Beta- D-Glucosaminidase Responsible for the Deglycosylation of Hypocrea Jecorina Cellulases.
Plos One, 7, 2012
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4AJZ
 | | Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | | 分子名称: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | | 著者 | Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I. | | 登録日 | 2012-02-21 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
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4AFN
 | | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa at 2.3A resolution | | 分子名称: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, PENTAETHYLENE GLYCOL | | 著者 | Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y. | | 登録日 | 2012-01-20 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
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3ZHZ
 | | Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue | | 分子名称: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, [(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid | | 著者 | Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A. | | 登録日 | 2012-12-30 | | 公開日 | 2013-10-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues.
J.Med.Chem., 56, 2013
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4ALY
 | | Borrelia burgdorferi outer surface lipoprotein BBA64 | | 分子名称: | P35 ANTIGEN, SULFATE ION | | 著者 | Brangulis, K, Tars, K, Petrovskis, I, Kazaks, A, Ranka, R, Baumanis, V. | | 登録日 | 2012-03-06 | | 公開日 | 2013-04-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of an Outer Surface Lipoprotein Bba64 from the Lyme Disease Agent Borrelia Burgdorferi which is Critical to Ensure Infection After a Tick Bite
Acta Crystallogr.,Sect.D, 69, 2013
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4B4F
 | | Thermobifida fusca Cel6B(E3) co-crystallized with cellobiose | | 分子名称: | BETA-1,4-EXOCELLULASE, CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | 著者 | Sandgren, M, Wu, M, Stahlberg, J, Karkehabadi, S, Mitchinson, C, Kelemen, B.R, Larenas, E.A, Hansson, H. | | 登録日 | 2012-07-30 | | 公開日 | 2012-12-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Structure of a Bacterial Cellobiohydrolase: The Catalytic Core of the Thermobifida Fusca Family Gh6 Cellobiohydrolase Cel6B.
J.Mol.Biol., 425, 2013
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4AV3
 | | Crystal structure of Thermotoga Maritima sodium pumping membrane integral pyrophosphatase with metal ions in active site | | 分子名称: | CALCIUM ION, K(+)-STIMULATED PYROPHOSPHATE-ENERGIZED SODIUM PUMP, MAGNESIUM ION | | 著者 | Kajander, T, Kogan, K, Kellosalo, J, Pokharel, K, Goldman, A. | | 登録日 | 2012-05-23 | | 公開日 | 2012-08-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Structure and Catalytic Cycle of a Sodium-Pumping Pyrophosphatase.
Science, 337, 2012
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4AX1
 | | Q157N mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157 | | 分子名称: | ACETATE ION, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O. | | 登録日 | 2012-06-06 | | 公開日 | 2012-06-20 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
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4AX0
 | | Q157A mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157 | | 分子名称: | ACETATE ION, CALCIUM ION, METALLO-BETA-LACTAMASE AIM-1, ... | | 著者 | Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O. | | 登録日 | 2012-06-06 | | 公開日 | 2012-06-20 | | 最終更新日 | 2018-06-20 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Antimicrob.Agents Chemother., 56, 2012
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4BG5
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4BGK
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate | | 分子名称: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2013-03-27 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4BFS
 | | Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1a) | | 分子名称: | N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE, PANTOTHENATE KINASE | | 著者 | Bjorkelid, C, Bergfors, T, Jones, T.A. | | 登録日 | 2013-03-22 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural and Biochemical Characterization of Compounds Inhibiting Mycobacterium Tuberculosis Pank
J.Biol.Chem., 288, 2013
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4BJ0
 | | Xyloglucan binding module (CBM4-2 X2-L110F) in complex with branched xyloses | | 分子名称: | CALCIUM ION, XYLANASE, alpha-D-glucopyranose, ... | | 著者 | Schantz, L, Hakansson, M, Logan, D.T, Nordberg-Karlsson, E, Ohlin, M. | | 登録日 | 2013-04-15 | | 公開日 | 2014-04-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Carbohydrate Binding Module Recognition of Xyloglucan Defined by Polar Contacts with Branching Xyloses and Ch-Pi Interactions.
Proteins, 82, 2014
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4BDV
 | | CRYSTAL STRUCTURE OF A TRUNCATED B-DOMAIN HUMAN FACTOR VIII | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Svensson, L.A, Thim, L, Olsen, O.H, Nicolaisen, E.M. | | 登録日 | 2012-10-08 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.98 Å) | | 主引用文献 | Evaluation of the Metal Binding Sites in a Recombinant Coagulation Factor Viii Identifies Two Sites with Unique Metal Binding Properties.
Biol.Chem., 394, 2013
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4BCW
 | | Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid | | 分子名称: | (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2012-10-03 | | 公開日 | 2013-02-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases.
J.Med.Chem., 56, 2013
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4BHF
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate | | 分子名称: | 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | 著者 | Tars, K, Leitans, J, Kazaks, A. | | 登録日 | 2013-04-02 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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