1MPV
 
 | | Structure of bhpBR3, the BAFF-binding loop of BR3 embedded in a beta-hairpin peptide | | 分子名称: | BLyS Receptor 3 | | 著者 | Kayagaki, N, Yan, M, Seshasayee, D, Wang, H, Lee, W, French, D.M, Grewal, I.S, Cochran, A.G, Gordon, N.C, Yin, J, Starovasnik, M.A, Dixit, V.M. | | 登録日 | 2002-09-12 | | 公開日 | 2002-10-30 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | BAFF/BLyS receptor 3 binds the B cell survival factor BAFF ligand through a discrete surface loop and promotes processing of NF-kappaB2.
Immunity, 17, 2002
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4CRD
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | 分子名称: | COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION | | 著者 | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | 登録日 | 2014-02-26 | | 公開日 | 2015-02-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CI0
 | | Electron cryo-microscopy of F420-reducing NiFe hydrogenase Frh | | 分子名称: | F420-REDUCING HYDROGENASE, SUBUNIT ALPHA, SUBUNIT BETA, ... | | 著者 | Allegretti, M, Mills, D.J, McMullan, G, Kuehlbrandt, W, Vonck, J. | | 登録日 | 2013-12-05 | | 公開日 | 2014-02-26 | | 最終更新日 | 2019-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.36 Å) | | 主引用文献 | Atomic Model of the F420-Reducing [Nife] Hydrogenase by Electron Cryo-Electron Microscopy Using a Direct Electron Detector.
Elife, 3, 2014
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4CS2
 | | Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in its apo form | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRROLYSINE--TRNA LIGASE | | 著者 | Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D. | | 登録日 | 2014-03-04 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
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6AYC
 | | Naegleria fowleri CYP51-itraconazole complex | | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51 | | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | | 登録日 | 2017-09-08 | | 公開日 | 2017-11-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
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3NTL
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4CSD
 | | Structure of Monomeric Ralstonia solanacearum lectin | | 分子名称: | FUCOSE-BINDING LECTIN PROTEIN, GLYCEROL, methyl alpha-L-fucopyranoside | | 著者 | Arnaud, J, Trundle, K, Claudinon, J, Audfray, A, Varrot, A, Romer, W, Imberty, A. | | 登録日 | 2014-03-06 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Membrane Deformation by Neolectins with Engineered Glycolipid Binding Sites.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5UVI
 | | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | 著者 | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | | 登録日 | 2017-02-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
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4CXF
 | | Structure of CnrH in complex with the cytosolic domain of CnrY | | 分子名称: | CHLORIDE ION, CNRY, RNA POLYMERASE SIGMA FACTOR CNRH, ... | | 著者 | Maillard, A.P, Girard, E, Ziani, W, Petit-Hartlein, I, Kahn, R, Coves, J. | | 登録日 | 2014-04-07 | | 公開日 | 2014-04-30 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The Crystal Structure of the Anti-Sigma Factor Cnry in Complex with the Sigma Factor Cnrh Shows a New Structural Class of Anti- Sigma Factors Targeting Extracytoplasmic-Function Sigma Factors.
J.Mol.Biol., 426, 2014
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4N3C
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4CTB
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20- tetrahydro-7,11-(azeno)pyrido(2',1':2,3)imidazo(4,5-h)(2,5,11) benzoxadiazacyclotetradecine-14-carbonitrile | | 分子名称: | (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | 登録日 | 2014-03-12 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
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4NWP
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group R32 | | 分子名称: | AMMONIUM ION, Putative uncharacterized protein, SULFATE ION, ... | | 著者 | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | | 登録日 | 2013-12-06 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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3O1R
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | 分子名称: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | | 著者 | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | 登録日 | 2010-07-21 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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3NOJ
 | | The structure of HMG/CHA aldolase from the protocatechuate degradation pathway of Pseudomonas putida | | 分子名称: | 4-carboxy-4-hydroxy-2-oxoadipate aldolase/oxaloacetate decarboxylase, MAGNESIUM ION, PYRUVIC ACID, ... | | 著者 | Kimber, M.S, Wang, W, Mazurkewich, S, Seah, S.Y.K. | | 登録日 | 2010-06-25 | | 公開日 | 2010-09-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structural and Kinetic Characterization of 4-Hydroxy-4-methyl-2-oxoglutarate/4-Carboxy-4-hydroxy-2-oxoadipate Aldolase, a Protocatechuate Degradation Enzyme Evolutionarily Convergent with the HpaI and DmpG Pyruvate Aldolases.
J.Biol.Chem., 285, 2010
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3O3O
 | | (R)-2-hydroxyisocaproyl-CoA dehydratase in complex with (R)-2-hydroxyisocaproate | | 分子名称: | (2R)-2-hydroxy-4-methylpentanoic acid, HYDROSULFURIC ACID, IRON/SULFUR CLUSTER, ... | | 著者 | Knauer, S.H, Buckel, W, Dobbek, H. | | 登録日 | 2010-07-25 | | 公開日 | 2011-03-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis for Reductive Radical Formation and Electron Recycling in (R)-2-Hydroxyisocaproyl-CoA Dehydratase.
J.Am.Chem.Soc., 133, 2011
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4O0T
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3NUR
 | | Crystal structure of a putative amidohydrolase from Staphylococcus aureus | | 分子名称: | Amidohydrolase, CALCIUM ION | | 著者 | Qiu, W, Lam, R, Romanov, V, Lam, K, Soloveychik, M, Pai, E.F, Chirgadze, N.Y. | | 登録日 | 2010-07-07 | | 公開日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of a putative amidohydrolase from Staphylococcus aureus
To be Published
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5WVM
 | | Crystal structure of baeS cocrystallized with 2 mM indole | | 分子名称: | Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION | | 著者 | Wang, W, Zhang, Y, Rang, T, Xu, D. | | 登録日 | 2016-12-26 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14
Proteins, 85, 2017
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4O13
 | | The crystal structure of NAMPT in complex with GNE-618 | | 分子名称: | 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | | 登録日 | 2013-12-15 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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1ORV
 | | Crystal Structure of Porcine Dipeptidyl Peptidase IV (CD26) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | 著者 | Engel, M, Hoffmann, T, Wagner, L, Wermann, M, Heiser, U, Kiefersauer, R, Huber, R, Bode, W, Demuth, H.U, Brandstetter, H. | | 登録日 | 2003-03-16 | | 公開日 | 2003-05-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Crystal Structure of Dipeptidyl Peptidase IV (CD26) Reveals its Functional Regulation and Enzymatic Mechanism
Proc.Natl.Acad.Sci.USA, 100, 2003
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4D3Z
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4D80
 | | Metallosphera sedula Vps4 crystal structure | | 分子名称: | AAA ATPASE, CENTRAL DOMAIN PROTEIN | | 著者 | Caillat, C, Macheboeuf, P, Wu, Y, McCarthy, A.A, Boeri-Erba, E, Effantin, G, Gottlinger, H.G, Weissenhorn, W, Renesto, P. | | 登録日 | 2014-12-02 | | 公開日 | 2015-10-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Asymmetric Ring Structure of Vps4 Required for Escrt-III Disassembly.
Nat.Commun., 6, 2015
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4O59
 | | Co-enzyme Induced Conformational Changes in Bovine Eye Glyceraldehyde 3-Phosphate Dehydrogenase | | 分子名称: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Baker, B.Y, Shi, W, Wang, B, Palczewski, K. | | 登録日 | 2013-12-19 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | High-resolution crystal structures of the photoreceptor glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with three and four-bound NAD molecules.
Protein Sci., 23, 2014
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6AY4
 | | Naegleria fowleri CYP51-fluconazole complex | | 分子名称: | 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYP51, ... | | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | | 登録日 | 2017-09-07 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
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4CTC
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one | | 分子名称: | (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR | | 著者 | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | 登録日 | 2014-03-12 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
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