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444D
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5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
分子名称: 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Clark, G.R, Squire, C.J, Martin, R.F, White, J.
登録日1999-01-14
公開日2000-02-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
455D
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A6/A18 INTER-STRAND DITHIOBIS(PROPANE)-CROSSLINKED DODECAMER (CGCGAATTCGCG)2
分子名称: DITHIOBIS-(PROPANE), DNA (5'-D(*CP*GP*CP*GP*AP*(SSP)AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Chiu, T.K, Kaczor-Grzeskowiak, M, Dickerson, R.E.
登録日1999-03-04
公開日1999-10-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Absence of minor groove monovalent cations in the crosslinked dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
J.Mol.Biol., 292, 1999
413D
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BU of 413d by Molmil
A'-FORM RNA DOUBLE HELIX IN THE SINGLE CRYSTAL STRUCTURE OF R(UGAGCUUCGGCUC)
分子名称: RNA (5'-R(*UP*GP*AP*GP*CP*UP*UP*CP*GP*GP*CP*UP*C)-3')
著者Tanaka, Y, Fujii, S, Hiroaki, H, Sakata, T, Tanaka, T, Uesugi, S, Tomita, K.-I, Kyogoku, Y.
登録日1998-07-10
公開日1998-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A'-form RNA double helix in the single crystal structure of r(UGAGCUUCGGCUC).
Nucleic Acids Res., 27, 1999
422D
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5'-R(*GP*AP*UP*CP*AP*CP*UP*UP*CP*GP*GP*U)-3'
分子名称: 5'-R(*GP*AP*UP*CP*AP*CP*UP*UP*CP*GP*GP*U)-3'
著者Eswaramoorthy, S, Rao, S.T, Sundaralingam, M.
登録日1998-09-10
公開日2003-06-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the dodecamer r(GAUCACUUCGGU) with four 5'-overhang nucleotides.
Acta Crystallogr.,Sect.D, 60, 2004
430D
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STRUCTURE OF SARCIN/RICIN LOOP FROM RAT 28S RRNA
分子名称: MAGNESIUM ION, SARCIN/RICIN LOOP FROM RAT 28S R-RNA
著者Correll, C.C, Munishkin, A, Chan, Y.L, Ren, Z, Wool, I.G, Steitz, T.A.
登録日1998-10-04
公開日1998-10-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the ribosomal RNA domain essential for binding elongation factors.
Proc.Natl.Acad.Sci.USA, 95, 1998
456C
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BU of 456c by Molmil
CRYSTAL STRUCTURE OF COLLAGENASE-3 (MMP-13) COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
分子名称: 2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE, CALCIUM ION, MMP-13, ...
著者Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
登録日1998-08-06
公開日1999-08-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
477D
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CALCIUM FORM OF THE B-DNA DODECAMER GGCGAATTCGCG
分子名称: 5'-D(*GP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', CALCIUM ION
著者Minasov, G, Tereshko, V, Egli, M.
登録日1999-06-25
公開日1999-07-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic-resolution crystal structures of B-DNA reveal specific influences of divalent metal ions on conformation and packing.
J.Mol.Biol., 291, 1999
3PUD
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BU of 3pud by Molmil
Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution
分子名称: Dihydrodipicolinate synthase, GLYCEROL, SULFATE ION
著者Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2010-12-04
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution
To be Published
4AOI
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BU of 4aoi by Molmil
Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile
分子名称: 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
登録日2012-03-27
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3PVI
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BU of 3pvi by Molmil
D34G MUTANT OF PVUII ENDONUCLEASE COMPLEXED WITH COGNATE DNA SHOWS THAT ASP34 IS DIRECTLY INVOLVED IN DNA RECOGNITION AND INDIRECTLY INVOLVED IN CATALYSIS
分子名称: DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), PROTEIN (PVUII ENDONUCLEASE)
著者Horton, J.R, Cheng, X.
登録日1998-10-09
公開日1998-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Asp34 of PvuII endonuclease is directly involved in DNA minor groove recognition and indirectly involved in catalysis.
J.Mol.Biol., 284, 1998
4AP7
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BU of 4ap7 by Molmil
Crystal structure of C-MET kinase domain in complex with 4-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl)phenol
分子名称: 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol, HEPATOCYTE GROWTH FACTOR RECEPTOR
著者McTigue, M, Wickersham, J.
登録日2012-03-30
公開日2012-09-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3PHM
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BU of 3phm by Molmil
REDUCED (CU+) PEPTIDYLGLYCINE ALPHA-HYDROXYLATING MONOOXYGENASE (PHM)
分子名称: AZIDE ION, COPPER (II) ION, GLYCEROL, ...
著者Prigge, S.T, Amzel, L.M.
登録日1999-05-25
公開日1999-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate-mediated electron transfer in peptidylglycine alpha-hydroxylating monooxygenase.
Nat.Struct.Biol., 6, 1999
3MUS
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BU of 3mus by Molmil
2A Resolution Structure of Rat Type B Cytochrome b5
分子名称: Cytochrome b5 type B, PROTOPORPHYRIN IX CONTAINING FE
著者Terzyan, S, Zhang, X, Benson, D.R.
登録日2010-05-03
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Accommodating a Non-Conservative Internal Mutation by Water-Mediated Hydrogen-Bonding Between beta-Sheet Strands: A Comparison of Human and Rat Type B (Mitochondrial) Cytochrome b5
Biochemistry, 50, 2011
3R73
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BU of 3r73 by Molmil
CDK2 in complex with inhibitor KVR-1-164
分子名称: 1,2-ETHANEDIOL, 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-22
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
4AXN
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Hallmarks of processive and non-processive glycoside hydrolases revealed from computational and crystallographic studies of the Serratia marcescens chitinases
分子名称: ACETATE ION, CALCIUM ION, CHITINASE C1
著者Payne, C.M, Baban, J, Synstad, B, Backe, P.H, Arvai, A.S, Dalhus, B, Bjoras, M, Eijsink, V.G.H, Sorlie, M, Beckham, G.T, Vaaje-Kolstad, G.
登録日2012-06-13
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Hallmarks of Processivity in Glycoside Hydrolases from Crystallographic and Computational Studies of the Serratia Marcescens Chitinases.
J.Biol.Chem., 287, 2012
3R8V
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BU of 3r8v by Molmil
CDK2 in complex with inhibitor RC-1-135
分子名称: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-24
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
7A4J
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BU of 7a4j by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4
分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase
著者Tetter, S, Hilvert, D.
登録日2020-08-19
公開日2021-06-02
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
3RJC
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CDK2 in complex with inhibitor L4-12
分子名称: Cyclin-dependent kinase 2, {4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-04-15
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
2XMA
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DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE RIGHT END DNA COMPLEX
分子名称: DRA2 TRANSPOSASE RIGHT END RECOGNITION SITE, MAGNESIUM ION, TRANSPOSASE
著者Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F.
登録日2010-07-26
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans.
Embo J., 29, 2010
4ASE
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BU of 4ase by Molmil
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951)
分子名称: TIVOZANIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A.
登録日2012-04-30
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R28
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CDK2 in complex with inhibitor KVR-1-140
分子名称: 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-14
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3R7I
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BU of 3r7i by Molmil
CDK2 in complex with inhibitor KVR-1-74
分子名称: 1,2-ETHANEDIOL, 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-22
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
3N7K
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Crystal structure of botulinum neurotoxin serotype C1 binding domain
分子名称: Botulinum neurotoxin type C1
著者Fu, Z, Kroken, A, Karalewitz, A, Baldwin, M.R, Barbieri, J.T, Kim, J.-J.P.
登録日2010-05-27
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of a Unique Ganglioside Binding Loop within Botulinum Neurotoxins C and D-SA .
Biochemistry, 49, 2010
4BGN
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cryo-EM structure of the NavCt voltage-gated sodium channel
分子名称: VOLTAGE-GATED SODIUM CHANNEL
著者Tsai, C.J, Tani, K, Irie, K, Hiroaki, Y, Shimomura, T, Mcmillan, D.G, Cook, G.M, Schertler, G, Fujiyoshi, Y, Li, X.D.
登録日2013-03-28
公開日2013-07-10
最終更新日2023-12-20
実験手法ELECTRON CRYSTALLOGRAPHY (9 Å)
主引用文献Two Alternative Conformations of a Voltage-Gated Sodium Channel.
J.Mol.Biol., 425, 2013
3PUE
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Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution
分子名称: Dihydrodipicolinate synthase, GLYCEROL, LYSINE, ...
著者Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2010-12-04
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution
To be Published

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