444D
 
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 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') | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
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455D
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413D
 | | A'-FORM RNA DOUBLE HELIX IN THE SINGLE CRYSTAL STRUCTURE OF R(UGAGCUUCGGCUC) | | Descriptor: | RNA (5'-R(*UP*GP*AP*GP*CP*UP*UP*CP*GP*GP*CP*UP*C)-3') | | Authors: | Tanaka, Y, Fujii, S, Hiroaki, H, Sakata, T, Tanaka, T, Uesugi, S, Tomita, K.-I, Kyogoku, Y. | | Deposit date: | 1998-07-10 | | Release date: | 1998-07-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A'-form RNA double helix in the single crystal structure of r(UGAGCUUCGGCUC).
Nucleic Acids Res., 27, 1999
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422D
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430D
 | | STRUCTURE OF SARCIN/RICIN LOOP FROM RAT 28S RRNA | | Descriptor: | MAGNESIUM ION, SARCIN/RICIN LOOP FROM RAT 28S R-RNA | | Authors: | Correll, C.C, Munishkin, A, Chan, Y.L, Ren, Z, Wool, I.G, Steitz, T.A. | | Deposit date: | 1998-10-04 | | Release date: | 1998-10-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the ribosomal RNA domain essential for binding elongation factors.
Proc.Natl.Acad.Sci.USA, 95, 1998
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456C
 | | CRYSTAL STRUCTURE OF COLLAGENASE-3 (MMP-13) COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID | | Descriptor: | 2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE, CALCIUM ION, MMP-13, ... | | Authors: | 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. | | Deposit date: | 1998-08-06 | | Release date: | 1999-08-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
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477D
 | | CALCIUM FORM OF THE B-DNA DODECAMER GGCGAATTCGCG | | Descriptor: | 5'-D(*GP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', CALCIUM ION | | Authors: | Minasov, G, Tereshko, V, Egli, M. | | Deposit date: | 1999-06-25 | | Release date: | 1999-07-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atomic-resolution crystal structures of B-DNA reveal specific influences of divalent metal ions on conformation and packing.
J.Mol.Biol., 291, 1999
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3PUD
 | | Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, SULFATE ION | | Authors: | Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2010-12-04 | | Release date: | 2010-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution
To be Published
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4AOI
 | | 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 | | Descriptor: | 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 | | Authors: | McTigue, M, Grodsky, N, Ryan, K, Cui, J.J. | | Deposit date: | 2012-03-27 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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3PVI
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4AP7
 | | 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 | | Descriptor: | 4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol, HEPATOCYTE GROWTH FACTOR RECEPTOR | | Authors: | McTigue, M, Wickersham, J. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
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3PHM
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3MUS
 | | 2A Resolution Structure of Rat Type B Cytochrome b5 | | Descriptor: | Cytochrome b5 type B, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Terzyan, S, Zhang, X, Benson, D.R. | | Deposit date: | 2010-05-03 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
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3R73
 | | CDK2 in complex with inhibitor KVR-1-164 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-22 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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4AXN
 | | Hallmarks of processive and non-processive glycoside hydrolases revealed from computational and crystallographic studies of the Serratia marcescens chitinases | | Descriptor: | ACETATE ION, CALCIUM ION, CHITINASE C1 | | Authors: | 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. | | Deposit date: | 2012-06-13 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Hallmarks of Processivity in Glycoside Hydrolases from Crystallographic and Computational Studies of the Serratia Marcescens Chitinases.
J.Biol.Chem., 287, 2012
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3R8V
 | | CDK2 in complex with inhibitor RC-1-135 | | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-24 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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7A4J
 | | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4 | | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Tetter, S, Hilvert, D. | | Deposit date: | 2020-08-19 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
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3RJC
 | | CDK2 in complex with inhibitor L4-12 | | Descriptor: | Cyclin-dependent kinase 2, {4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-04-15 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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2XMA
 | | DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE RIGHT END DNA COMPLEX | | Descriptor: | DRA2 TRANSPOSASE RIGHT END RECOGNITION SITE, MAGNESIUM ION, TRANSPOSASE | | Authors: | Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F. | | Deposit date: | 2010-07-26 | | Release date: | 2010-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans.
Embo J., 29, 2010
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4ASE
 | | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951) | | Descriptor: | TIVOZANIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | | Deposit date: | 2012-04-30 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3R28
 | | CDK2 in complex with inhibitor KVR-1-140 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-14 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3R7I
 | | CDK2 in complex with inhibitor KVR-1-74 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-22 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3N7K
 | | Crystal structure of botulinum neurotoxin serotype C1 binding domain | | Descriptor: | Botulinum neurotoxin type C1 | | Authors: | Fu, Z, Kroken, A, Karalewitz, A, Baldwin, M.R, Barbieri, J.T, Kim, J.-J.P. | | Deposit date: | 2010-05-27 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of a Unique Ganglioside Binding Loop within Botulinum Neurotoxins C and D-SA .
Biochemistry, 49, 2010
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4BGN
 | | cryo-EM structure of the NavCt voltage-gated sodium channel | | Descriptor: | VOLTAGE-GATED SODIUM CHANNEL | | Authors: | Tsai, C.J, Tani, K, Irie, K, Hiroaki, Y, Shimomura, T, Mcmillan, D.G, Cook, G.M, Schertler, G, Fujiyoshi, Y, Li, X.D. | | Deposit date: | 2013-03-28 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | ELECTRON CRYSTALLOGRAPHY (9 Å) | | Cite: | Two Alternative Conformations of a Voltage-Gated Sodium Channel.
J.Mol.Biol., 425, 2013
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3PUE
 | | Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution | | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, LYSINE, ... | | Authors: | Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2010-12-04 | | Release date: | 2010-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution
To be Published
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