6TLR
 
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE | | 分子名称: | 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | 登録日 | 2019-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6TID
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6TLS
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE | | 分子名称: | 5,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | 登録日 | 2019-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6TLL
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE (tBBT) | | 分子名称: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | 登録日 | 2019-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6TLW
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4-BROMOBENZOTRIAZOLE | | 分子名称: | 7-bromanyl-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha | | 著者 | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | 登録日 | 2019-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6TFR
 | | Linalool Dehydratase Isomerase C180A mutant | | 分子名称: | 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI | | 著者 | Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G. | | 登録日 | 2019-11-14 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
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6TFT
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3OA9
 | | Effector domain of influenza A/Duck/Albany/76 NS1 | | 分子名称: | Non-structural protein 1 | | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | | 登録日 | 2010-08-05 | | 公開日 | 2011-05-11 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain.
Plos One, 6, 2011
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9CSI
 | | A. baumannii MsbA Bound to Cerastecin Compound 5 | | 分子名称: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ... | | 著者 | Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M. | | 登録日 | 2024-07-23 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
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2VZW
 | | X-ray structure of the heme-bound GAF domain of sensory histidine kinase DosT of Mycobacterium tuberculosis | | 分子名称: | ACETATE ION, OXYGEN MOLECULE, PROBABLE HISTIDINE KINASE RESPONSE REGULATOR, ... | | 著者 | Podust, L.M, Ioanoviciu, A, Ortiz de Montellano, P.R. | | 登録日 | 2008-08-06 | | 公開日 | 2009-03-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 2.3 A X-Ray Structure of the Heme-Bound Gaf Domain of Sensory Histidine Kinase Dost of Mycobacterium Tuberculosis.
Biochemistry, 47, 2008
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4UVC
 | | LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine | | 分子名称: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | 著者 | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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9CSG
 | | Human Serum Albumin Bound to Cerastecin Compound 5e | | 分子名称: | 2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid, Albumin, MYRISTIC ACID | | 著者 | Hruza, A, Klein, D.J, Ishchenko, A. | | 登録日 | 2024-07-23 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.914 Å) | | 主引用文献 | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 2024
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4URJ
 | | Crystal structure of human BJ-TSA-9 | | 分子名称: | 1,2-ETHANEDIOL, PROTEIN FAM83A | | 著者 | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | | 登録日 | 2014-06-30 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Crystal Structure of Human Bj-Tsa-9
To be Published
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4URA
 | | Crystal structure of human JMJD2A in complex with compound 14a | | 分子名称: | 1,2-ETHANEDIOL, 2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | 著者 | Krojer, T, England, K.S, Vollmar, M, Crawley, L, Williams, E, Riesebos, E, Szykowska, A, Burgess-Brown, N, Oppermann, U, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2014-06-27 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
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5LPC
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2VTB
 | | Structure of cryptochrome 3 - DNA complex | | 分子名称: | 5'-D(*DT*DT*DT*DT*DTP)-3', 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, ACETATE ION, ... | | 著者 | Pokorny, R, Klar, T, Hennecke, U, Carell, T, Batschauer, A, Essen, L.-O. | | 登録日 | 2008-05-13 | | 公開日 | 2009-06-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Recognition and Repair of Uv Lesions in Loop Structures of Duplex DNA by Dash-Type Cryptochrome.
Proc.Natl.Acad.Sci.USA, 105, 2008
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2WCI
 | | Structure of E. coli monothiol glutaredoxin GRX4 homodimer | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, GLUTAREDOXIN-4, GLUTATHIONE, ... | | 著者 | Iwema, T, Picchiocci, A, Traore, D.A.K, Ferrer, J.-L, Chauvat, F, Jacquamet, L. | | 登録日 | 2009-03-12 | | 公開日 | 2009-06-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Basis for Delivery of the Intact [Fe2S2] Cluster by Monothiol Glutaredoxin.
Biochemistry, 48, 2009
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4UUC
 | | Crystal structure of human ASB11 ankyrin repeat domain | | 分子名称: | ANKYRIN REPEAT AND SOCS BOX PROTEIN 11 | | 著者 | Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A. | | 登録日 | 2014-07-25 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
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4UVA
 | | LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S) | | 分子名称: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | 著者 | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | 登録日 | 2014-08-05 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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2VS2
 | | Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor. | | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | | 著者 | Coates, L, Tuan, H.-F, Tomanicek, S, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | | 登録日 | 2008-04-17 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | NEUTRON DIFFRACTION (2 Å) | | 主引用文献 | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction
J.Am.Chem.Soc., 130, 2008
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2VQT
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | 分子名称: | (2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | 著者 | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | 登録日 | 2008-03-18 | | 公開日 | 2008-04-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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4UYI
 | | Crystal structure of the BTB domain of human SLX4 (BTBD12) | | 分子名称: | STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4 | | 著者 | Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | 登録日 | 2014-09-01 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
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2W9Z
 | | Crystal Structure of CDK4 in complex with a D-type cyclin | | 分子名称: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | | 著者 | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | | 登録日 | 2009-01-30 | | 公開日 | 2009-03-10 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4WK9
 | | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | | 著者 | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | 登録日 | 2014-10-02 | | 公開日 | 2015-07-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.102 Å) | | 主引用文献 | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
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4WJX
 | | Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution | | 分子名称: | Chitotriosidase-1, L(+)-TARTARIC ACID | | 著者 | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | 登録日 | 2014-10-01 | | 公開日 | 2015-07-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015
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