3TFR
 
 | | Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CF2)PP in the active site | | 分子名称: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H. | | 登録日 | 2011-08-16 | | 公開日 | 2012-03-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta.
Chembiochem, 13, 2012
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329D
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5OF0
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII), the E424M inactive mutant, in complex with a inhibitor CFBzOG | | 分子名称: | (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)methylamino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic 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 | Novakova, Z, Motlova, L, Barinka, C. | | 登録日 | 2017-07-10 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
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4D8Z
 | | Crystal structure of B. anthracis DHPS with compound 24 | | 分子名称: | (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | | 著者 | Hammoudeh, D, Lee, R.E, White, S.W. | | 登録日 | 2012-01-11 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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5QC2
 | | Crystal structure of human Cathepsin-S with bound ligand | | 分子名称: | 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, Cathepsin S | | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | 登録日 | 2017-08-04 | | 公開日 | 2017-12-20 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Crystal structure of human Cathepsin-S with bound ligand
To be published
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1KFT
 | | Solution Structure of the C-Terminal domain of UvrC from E-coli | | 分子名称: | Excinuclease ABC subunit C | | 著者 | Singh, S, Folkers, G.E, Bonvin, A.M.J.J, Boelens, R, Wechselberger, R, Niztayev, A, Kaptein, R. | | 登録日 | 2001-11-23 | | 公開日 | 2002-11-20 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure and DNA-binding properties of the C-terminal domain of UvrC from E.coli
EMBO J., 21, 2002
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5QCA
 | | Crystal structure of human Cathepsin-S with bound ligand | | 分子名称: | 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine, Cathepsin S, SULFATE ION | | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | 登録日 | 2017-08-04 | | 公開日 | 2017-12-20 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Crystal structure of human Cathepsin-S with bound ligand
To be published
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5QBX
 | | Crystal structure of human Cathepsin-S with bound ligand | | 分子名称: | (2S)-1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol, Cathepsin S | | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | 登録日 | 2017-08-04 | | 公開日 | 2017-12-20 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of human Cathepsin-S with bound ligand
To be published
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3SLE
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4D9P
 | | Crystal structure of B. anthracis DHPS with compound 17 | | 分子名称: | (3R)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | | 著者 | Hammoudeh, D, Lee, R.E, White, S.W. | | 登録日 | 2012-01-11 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4D8A
 | | Crystal structure of B. anthracis DHPS with compound 21 | | 分子名称: | Dihydropteroate synthase, LYSINE, SULFATE ION, ... | | 著者 | Hammoudeh, D, Lee, R.E, White, S.W. | | 登録日 | 2012-01-10 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.183 Å) | | 主引用文献 | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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5QC7
 | | Crystal structure of human Cathepsin-S with bound ligand | | 分子名称: | 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, Cathepsin S, DIMETHYL SULFOXIDE, ... | | 著者 | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | 登録日 | 2017-08-04 | | 公開日 | 2017-12-20 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of human Cathepsin-S with bound ligand
To be published
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2JBO
 | | Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking) | | 分子名称: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP KINASE-ACTIVATED PROTEIN KINASE 2, PHOSPHATE ION | | 著者 | Hillig, R.C, Eberspaecher, U, Monteclaro, F, Huber, M, Nguyen, D, Mengel, A, Muller-Tiemann, B, Egner, U. | | 登録日 | 2006-12-09 | | 公開日 | 2007-03-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase Mk2.
J.Mol.Biol., 369, 2007
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2BWQ
 | | Crystal Structure of the RIM2 C2A-domain at 1.4 angstrom Resolution | | 分子名称: | REGULATING SYNAPTIC MEMBRANE EXOCYTOSIS PROTEIN 2, SULFATE ION | | 著者 | Dai, H, Tomchick, D.R, Garcia, J, Sudhof, T.C, Machius, M, Rizo, J. | | 登録日 | 2005-07-15 | | 公開日 | 2005-10-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Crystal Structure of the Rim2 C(2)A-Domain at 1.4 A Resolution.
Biochemistry, 44, 2005
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1KWJ
 | | solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans, minimized average structure | | 分子名称: | HEME C, cytochrome c7 | | 著者 | Assfalg, M, Bertini, I, Turano, P, Bruschi, M, Durand, M.C, Giudici-Orticoni, M.T, Dolla, A. | | 登録日 | 2002-01-29 | | 公開日 | 2002-02-06 | | 最終更新日 | 2021-10-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A quick solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans and mechanistic implications.
J.Biomol.NMR, 22, 2002
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4DAF
 | | Crystal structure of B. anthracis DHPS with compound 19 | | 分子名称: | (2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION | | 著者 | Hammoudeh, D, Lee, R.E, White, S.W. | | 登録日 | 2012-01-12 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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3Q61
 | | 3'-Fluoro Hexitol Nucleic Acid DNA Structure | | 分子名称: | DNA (5'-D(*GP*CP*GP*TP*AP*(F3H)P*AP*CP*GP*C)-3') | | 著者 | Seth, P.R, Allerson, C.R, Prakash, T.P, Siwkowski, A, Berdeja, A, Yu, J, Pallan, P.S, Watt, A.T, Gaus, H, Bhat, B, Egli, M, Swayze, E.E. | | 登録日 | 2010-12-30 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Synthesis, improved antisense activity and structural rationale for the divergent RNA affinities of 3'-fluoro hexitol nucleic acid (FHNA and Ara-FHNA) modified oligonucleotides.
J.Am.Chem.Soc., 133, 2011
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1L3M
 | | The Solution Structure of [d(CGC)r(amamam)d(TTTGCG)]2 | | 分子名称: | 5'-D(*CP*GP*C)-R(P*(A39)P*(A39)P*(A39))-D(P*TP*TP*TP*GP*CP*G)-3' | | 著者 | Tsao, Y.P, Wang, L.Y, Hsu, S.T, Jain, M.L, Chou, S.H, Huang, W.C, Cheng, J.W. | | 登録日 | 2002-02-28 | | 公開日 | 2002-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of [d(CGC)r(amamam)d(TTTGCG)]2.
J.Biomol.NMR, 21, 2001
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4DB7
 | | Crystal structure of B. anthracis DHPS with compound 25 | | 分子名称: | 3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate Synthase, SULFATE ION | | 著者 | Hammoudeh, D, Lee, R.E, White, S.W. | | 登録日 | 2012-01-13 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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4BW4
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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1L3O
 | | SOLUTION STRUCTURE DETERMINATION OF THE FULLY OXIDIZED DOUBLE MUTANT K9-10A CYTOCHROME C7 FROM DESULFUROMONAS ACETOXIDANS, ENSEMBLE OF 35 STRUCTURES | | 分子名称: | HEME C, cytochrome c7 | | 著者 | Assfalg, M, Bertini, I, Turano, P, Bruschi, M, Durand, M.C, Giudici-Orticoni, M.T, Dolla, A. | | 登録日 | 2002-02-28 | | 公開日 | 2002-03-13 | | 最終更新日 | 2021-10-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A quick solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans and mechanistic implications.
J.Biomol.NMR, 22, 2002
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2HSP
 | | SOLUTION STRUCTURE OF THE SH3 DOMAIN OF PHOSPHOLIPASE CGAMMA | | 分子名称: | PHOSPHOLIPASE C-GAMMA (SH3 DOMAIN) | | 著者 | Kohda, D, Hatanaka, H, Odaka, M, Inagaki, F. | | 登録日 | 1994-06-13 | | 公開日 | 1994-08-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the SH3 domain of phospholipase C-gamma.
Cell(Cambridge,Mass.), 72, 1993
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3R7Q
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3SWH
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3SVA
 | | Crystal structure of V57D mutant of human cystatin C | | 分子名称: | ACETATE ION, Cystatin-C, DI(HYDROXYETHYL)ETHER | | 著者 | Orlikowska, M, Szymanska, A, Borek, D, Otwinowski, Z, Skowron, P, Jankowska, E. | | 登録日 | 2011-07-12 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Structural characterization of V57D and V57P mutants of human cystatin C, an amyloidogenic protein.
Acta Crystallogr.,Sect.D, 69, 2013
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