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5ENZ
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S. aureus MnaA-UDP co-structure
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Fischmann, T.O.
登録日2015-11-09
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Chemical Genetic Analysis and Functional Characterization of Staphylococcal Wall Teichoic Acid 2-Epimerases Reveals Unconventional Antibiotic Drug Targets.
Plos Pathog., 12, 2016
2BBL
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BU of 2bbl by Molmil
NMR structures of the peptide linked to the genome (VPg) of poliovirus in a stabilizing solvent
分子名称: Genome linked protein VPg
著者Schein, C.H, Oezguen, N.
登録日2005-10-17
公開日2006-03-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the viral peptide linked to the genome (VPg) of poliovirus.
Peptides, 27, 2006
5EOS
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BU of 5eos by Molmil
Crystallizing Strained DNA: Self-Assembly of 3D Crystals Containing a Torsionally-Stressed Component
分子名称: DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*TP*GP*CP*TP*GP*C)-3'), DNA (5'-D(P*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*AP*CP*AP*CP*CP*GP*T)-3'), ...
著者Hernandez, C, Birktoft, J.J, Seeman, N.C.
登録日2015-11-10
公開日2017-08-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (4.7 Å)
主引用文献Self-Assembly of 3D DNA Crystals Containing a Torsionally Stressed Component.
Cell Chem Biol, 2017
4ZRZ
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BU of 4zrz by Molmil
PlyCB mutant R66E
分子名称: PlyCB
著者Gallagher, D.T, Nelson, D.C, Shen, Y.
登録日2015-05-12
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A bacteriophage endolysin that eliminates intracellular streptococci.
Elife, 5, 2016
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-11-21
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
4ZS8
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BU of 4zs8 by Molmil
Crystal structure of ligand-free, full length DasR
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional repressor DasR
著者Fillenberg, S.B, Muller, Y.A.
登録日2015-05-13
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
5A7O
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BU of 5a7o by Molmil
Crystal structure of human JMJD2A in complex with compound 42
分子名称: 1,2-ETHANEDIOL, 2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
登録日2015-07-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
3URR
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BU of 3urr by Molmil
Structure of PTS IIA-like nitrogen-regulatory protein PtsN (BTH_I0484) (ptsN)
分子名称: GLYCEROL, PHOSPHATE ION, PTS IIA-like nitrogen-regulatory protein PtsN
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-11-22
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3UNQ
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BU of 3unq by Molmil
Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
著者Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
登録日2011-11-16
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
5EKA
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BU of 5eka by Molmil
HU DNA-binding protein from Thermus thermophilus
分子名称: DNA-binding protein HU, GLYCEROL
著者Papageorgiou, A, Adam, P, Stavros, P, Nounesis, G, Meijers, R, Petratos, K, Vorgias, C.E.
登録日2015-11-03
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献HU histone-like DNA-binding protein from Thermus thermophilus: structural and evolutionary analyses.
Extremophiles, 20, 2016
4ZSK
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BU of 4zsk by Molmil
Crystal structure of the effector-binding domain of DasR (DasR-EBD) in complex with N-acetylglucosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose, ...
著者Fillenberg, S.B, Muller, Y.A.
登録日2015-05-13
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
1ZCA
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BU of 1zca by Molmil
Crystal structure of G alpha 12 in complex with GDP, Mg2+ and AlF4-
分子名称: G alpha i/12, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Nance, M.R, Tesmer, J.J.G.
登録日2005-04-11
公開日2005-11-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A new approach to producing functional G alpha subunits yields the activated and deactivated structures of G alpha(12/13) proteins.
Biochemistry, 45, 2006
4ZST
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BU of 4zst by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3a
分子名称: COBALT (II) ION, Parathion hydrolase
著者Mabanglo, M.F, Raushel, F.M.
登録日2015-05-13
公開日2015-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
5ELL
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BU of 5ell by Molmil
Crystal structure of L-aspartate/glutamate-specific racemase from Escherichia coli
分子名称: Asp/Glu_racemase family protein
著者Ahn, J.W, Chang, J.H, Kim, K.J.
登録日2015-11-04
公開日2015-11-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural basis for an atypical active site of an l-aspartate/glutamate-specific racemase from Escherichia coli
Febs Lett., 589, 2015
1Z6T
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BU of 1z6t by Molmil
Structure of the apoptotic protease-activating factor 1 bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Apoptotic protease activating factor 1
著者Riedl, S.J, Li, W, Chao, Y, Schwarzenbacher, R, Shi, Y.
登録日2005-03-23
公開日2005-04-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of the apoptotic protease-activating factor 1 bound to ADP
Nature, 434, 2005
5ELY
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BU of 5ely by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242
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, 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ...
著者Barinka, C, Novakova, Z, Pavlicek, J.
登録日2015-11-05
公開日2016-04-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
4ZVO
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BU of 4zvo by Molmil
Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to VEID inhibitor.
分子名称: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASJ
著者Hill, M.E, MacPherson, D.J, Hardy, J.A.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
2B55
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BU of 2b55 by Molmil
Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312
分子名称: 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE, Cell division protein kinase 2
著者Muckelbauer, J.
登録日2005-09-27
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 3. Structure Activity Relationships at C3
J.Med.Chem., 45, 2002
5EU1
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BU of 5eu1 by Molmil
CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273
分子名称: 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9
著者Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
登録日2015-11-18
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
5EU8
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BU of 5eu8 by Molmil
Structure of FIPV main protease in complex with dual inhibitors
分子名称: 1,2-ETHANEDIOL, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, ZINC ION, ...
著者Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H.
登録日2015-11-18
公開日2015-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors
J.Virol., 90, 2015
3UW4
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BU of 3uw4 by Molmil
Crystal structure of cIAP1 BIR3 bound to GDC0152
分子名称: Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ...
著者Maurer, B, Hymowitz, S.
登録日2011-11-30
公開日2012-02-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
5EUG
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BU of 5eug by Molmil
CRYSTALLOGRAPHIC AND ENZYMATIC STUDIES OF AN ACTIVE SITE VARIANT H187Q OF ESCHERICHIA COLI URACIL DNA GLYCOSYLASE: CRYSTAL STRUCTURES OF MUTANT H187Q AND ITS URACIL COMPLEX
分子名称: PROTEIN (GLYCOSYLASE), URACIL
著者Xiao, G, Tordova, M, Drohat, A.C, Jagadeesh, J, Stivers, J.T, Gilliland, G.L.
登録日1998-12-27
公開日1999-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited.
Proteins, 35, 1999
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
分子名称: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
著者Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
登録日2015-05-19
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
5UJ8
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BU of 5uj8 by Molmil
Human Origin Recognition Complex subunits 2 and 3
分子名称: Origin recognition complex subunit 2, Origin recognition complex subunit 3
著者Tocilj, A, On, K.F, Elkayam, E, Joshua-Tor, L.
登録日2017-01-17
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
1ZI1
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BU of 1zi1 by Molmil
Crystal Structure of Human N-acetylgalactosaminyltransferase (GTA) Complexed with Lactose
分子名称: CHLORIDE ION, Histo-blood group ABO system transferase (NAGAT) Includes: Glycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase, MANGANESE (II) ION, ...
著者Letts, J.A, Rose, N.L, Fang, Y.R, Barry, C.H, Borisova, S.N, Seto, N.O, Palcic, M.M, Evans, S.V.
登録日2005-04-26
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Differential Recognition of the Type I and II H Antigen Acceptors by the Human ABO(H) Blood Group A and B Glycosyltransferases.
J.Biol.Chem., 281, 2006

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