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5EIX
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QUINOLONE-STABILIZED CLEAVAGE COMPLEX OF TOPOISOMERASE IV FROM KLEBSIELLA PNEUMONIAE
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, MAGNESIUM ION, ...
Authors:Veselkov, D.A, Laponogov, I, Pan, X.-S, Selvarajah, J, Branstrom, A, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-10-30
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex.
Acta Crystallogr D Struct Biol, 72, 2016
6A91
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BU of 6a91 by Molmil
Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with saxitoxin and Dc1a
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N.
Deposit date:2018-07-11
Release date:2018-08-08
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
6A95
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Complex of voltage-gated sodium channel NavPaS from American cockroach Periplaneta americana bound with tetrodotoxin and Dc1a
Descriptor: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shen, H.Z, li, Z.Q, Jiang, Y, Pan, X.J, Wu, J.P, Cristofori-Armstrong, B, Smith, J.J, Chin, Y.K.Y, Lei, J.L, Zhou, Q, King, G.F, Yan, N.
Deposit date:2018-07-11
Release date:2018-08-08
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for the modulation of voltage-gated sodium channels by animal toxins.
Science, 362, 2018
1JO2
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Crystal Structure of the B-DNA Hexamer (CgATCG).Daunomycin Complex Containing a Ribose at the Intercalation Site
Descriptor: 5'-D(*C)-R(P*G)-D(P*AP*TP*CP*G)-3', DAUNOMYCIN
Authors:Shi, K, Pan, B, Sundaralingam, M.
Deposit date:2001-07-26
Release date:2003-07-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a B-form DNA/RNA chimera (dC)(rG)d(ATCG) complexed with daunomycin at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
6GQQ
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BU of 6gqq by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 35)
Descriptor: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
Authors:Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
Deposit date:2018-06-07
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
1L3Z
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Crystal Structure Analysis of an RNA Heptamer
Descriptor: 5'-R(*GP*UP*AP*UP*AP*CP*A)-3', SODIUM ION
Authors:Shi, K, Pan, B, Sundaralingam, M.
Deposit date:2002-03-04
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The crystal structure of an alternating RNA heptamer r(GUAUACA) forming a six base-paired duplex with 3'-end adenine overhangs
Nucleic Acids Res., 31, 2003
1JUX
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BU of 1jux by Molmil
1.6A Resolution Crystal Structures of the DNA Octamers d(IUATATAC) and d(ITITACAC):Binding of Two Distamycin Drugs Side-by-Side
Descriptor: 5'-D(*IP*TP*IP*TP*AP*CP*AP*C)-3', DISTAMYCIN A
Authors:Deng, J, Pan, B, Sundaralingam, M.
Deposit date:2001-08-28
Release date:2004-01-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of d(ITITACAC) complexed with distamycin at 1.6 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
1LNT
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BU of 1lnt by Molmil
Crystal Structure of the Highly Conserved RNA Internal Loop of SRP
Descriptor: 5'-R(*CP*GP*GP*AP*AP*GP*CP*AP*GP*(CBV)P*GP*C)-3', 5'-R(*GP*CP*GP*UP*CP*AP*GP*GP*UP*CP*(CBV)P*G)-3', CALCIUM ION, ...
Authors:Deng, J, Xiong, Y, Pan, B, Sundaralingam, M.
Deposit date:2002-05-03
Release date:2003-06-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of an RNA dodecamer containing a fragment from SRP domain IV of Escherichia coli.
Acta Crystallogr.,Sect.D, 59, 2003
7QQB
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BU of 7qqb by Molmil
Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ...
Authors:Serris, A, Rey, F.A, Guardado-Calvo, P.
Deposit date:2022-01-07
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody.
Sci Transl Med, 15, 2023
7RAQ
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BU of 7raq by Molmil
Crystal structure of CV3-25 Fab bound to SARS-CoV-2 spike stem helix peptide
Descriptor: CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, GLYCEROL, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-07-02
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural definition of a pan-sarbecovirus neutralizing epitope on the spike S2 subunit.
Commun Biol, 5, 2022
2GWH
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BU of 2gwh by Molmil
Human Sulfotranferase SULT1C2 in complex with PAP and pentachlorophenol
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, PENTACHLOROPHENOL, Sulfotransferase 1C2, ...
Authors:Tempel, W, Pan, P.W, Dombrovski, L, Allali-Hassani, A, Vedadi, M, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-05-04
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
2KJX
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BU of 2kjx by Molmil
Solution structure of the extracellular domain of JTB
Descriptor: Jumping translocation breakpoint protein
Authors:Rousseau, F, Lingel, A, Pan, B, Fairbrother, W.J, Bazan, F.
Deposit date:2009-06-10
Release date:2010-08-11
Last modified:2012-04-18
Method:SOLUTION NMR
Cite:The structure of the extracellular domain of the jumping translocation breakpoint protein reveals a variation of the midkine fold.
J.Mol.Biol., 415, 2012
2HDE
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BU of 2hde by Molmil
Solution Structure of Human SAP18
Descriptor: Histone deacetylase complex subunit SAP18
Authors:McCallum, S.A, Yin, J.P, Pan, B, Fairbrother, W.J.
Deposit date:2006-06-20
Release date:2007-04-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of SAP18: a ubiquitin fold in histone deacetylase complex assembly.
Biochemistry, 45, 2006
3EU0
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BU of 3eu0 by Molmil
Crystal structure of the S-nitrosylated Cys215 of PTP1B
Descriptor: Tyrosine-protein phosphatase non-receptor type 1
Authors:Chu, H.M, Wang, A.H.J, Chen, Y.Y, Pan, K.T, Wang, D.L, Khoo, K.H, Meng, T.C.
Deposit date:2008-10-09
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cysteine S-Nitrosylation Protects Protein-tyrosine Phosphatase 1B against Oxidation-induced Permanent Inactivation
J.Biol.Chem., 283, 2008
3ET2
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BU of 3et2 by Molmil
Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Descriptor: 1-BUTANOL, 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
4Z0W
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BU of 4z0w by Molmil
Peptaibol gichigamin isolated from Tolypocladium sup_5
Descriptor: PEPTAIBOL GICHIGAMIN
Authors:Du, L, Risinger, A.L, Mitchell, C.A, Stamps, B.W, Pan, N, King, J.B, Motley, J.L, Thomas, L.M, Yang, Z, Stevenson, B.S, Mooberry, S.L, Cichewicz, R.H.
Deposit date:2015-03-26
Release date:2016-03-30
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Peptaibol gichigamin isolated from Tolypocladium sup_5
TO BE PUBLISHED
3ET0
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BU of 3et0 by Molmil
Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid
Descriptor: 3-(5-methoxy-1H-indol-3-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma, alpha-D-glucopyranose
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3LTN
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BU of 3ltn by Molmil
Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (S. pneumoniae)
Descriptor: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2010-02-16
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
4Z4Q
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Quinazolinedione(PD 0305970)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-04-02
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
3ET1
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BU of 3et1 by Molmil
Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Descriptor: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor alpha, Steroid receptor coactivator 1
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
4Z2D
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BU of 4z2d by Molmil
Quinolone(Levofloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z2C
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BU of 4z2c by Molmil
Quinolone(Moxifloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z53
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BU of 4z53 by Molmil
Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-04-02
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
3FOE
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BU of 3foe by Molmil
Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Descriptor: 7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*AP*CP*CP*AP*AP*GP*GP*TP*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3'), ...
Authors:Laponogov, I, Sohi, M.K, Veselkov, D.A, Pan, X.-S, Sawhney, R, Thompson, A.W, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2008-12-30
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.001 Å)
Cite:Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Nat.Struct.Mol.Biol., 16, 2009
3CEY
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BU of 3cey by Molmil
Crystal structure of L3MBTL2
Descriptor: Lethal(3)malignant brain tumor-like 2 protein
Authors:Nady, N, Guo, Y, Pan, P, Allali-Hassani, A, Qi, C, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Bochkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-02-29
Release date:2008-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009

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