3FB7
 
 | | Open KcsA potassium channel in the presence of Rb+ ion | | Descriptor: | RUBIDIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ... | | Authors: | Cuello, L.G, Jogini, V, Cortes, D.M, Pan, A.C, Gagnon, D.H, Cordero-Morales, J.F, Chakrapani, S, Roux, B, Perozo, E. | | Deposit date: | 2008-11-18 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Open KcsA potassium channel in the presence of Rb+ ion
TO BE PUBLISHED
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4Z2E
 | | Quinolone(Trovafloxacin)-DNA cleavage complex of gyrase from S. pneumoniae | | Descriptor: | DNA gyrase subunit A, DNA gyrase subunit B, 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: | 2015-03-29 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
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3F70
 | | Crystal structure of L3MBTL2-H4K20me1 complex | | Descriptor: | Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE | | Authors: | Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-07 | | Release date: | 2009-01-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
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3FOF
 | | Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases | | 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 (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 Å) | | Cite: | Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Nat.Struct.Mol.Biol., 16, 2009
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4Z7A
 | | Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. | | Descriptor: | ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ... | | Authors: | Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A. | | Deposit date: | 2015-04-06 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
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4Z3O
 | | Quinolone(Moxifloxacin)-DNA cleavage complex of topoisomerase IV 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 topoisomerase 4 subunit B,ParE30-ParC55 fused topo IV from S. pneumoniae, E-site DNA, ... | | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2015-03-31 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.44 Å) | | Cite: | Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
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3ET3
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5UQW
 | | Crystal structure of human KRAS G12V mutant in complex with GDP | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L. | | Deposit date: | 2017-02-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
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5TOZ
 | | JAK3 with covalent inhibitor PF-06651600 | | Descriptor: | 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-10-19 | | Release date: | 2016-11-09 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
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5US4
 | | Crystal structure of human KRAS G12D mutant in complex with GDP | | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tran, T, Kaplan, A, Stockwell, B.R, Tong, L. | | Deposit date: | 2017-02-13 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
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5USJ
 | | Crystal Structure of human KRAS G12D mutant in complex with GDPNP | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L. | | Deposit date: | 2017-02-13 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
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3IYM
 | | Backbone Trace of the Capsid Protein Dimer of a Fungal Partitivirus from Electron Cryomicroscopy and Homology Modeling | | Descriptor: | Capsid protein | | Authors: | Tang, J, Pan, J, Havens, W.F, Ochoa, W.F, Li, H, Sinkovits, R.S, Guu, T.S.Y, Ghabrial, S.A, Nibert, M.L, Tao, J.Y, Baker, T.S. | | Deposit date: | 2010-02-05 | | Release date: | 2010-07-28 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Backbone Trace of Partitivirus Capsid Protein from Electron Cryomicroscopy and Homology Modeling
Biophys.J., 99, 2010
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3KEH
 | | Crystal Structure of N370S Glucocerebrosidase mutant at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wei, R.R, Boucher, S, Pan, C.Q, Edmunds, T. | | Deposit date: | 2009-10-26 | | Release date: | 2010-10-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Glucocerebrosidase Containing the N370S mutation: Implication on Chaperon Therapy
To be Published
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6V1N
 | | CSP1-E1A-cyc(Dap6E10) | | Descriptor: | Competence-stimulating peptide type 1 | | Authors: | Yang, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-01-08 | | Last modified: | 2020-02-05 | | Method: | SOLUTION NMR | | Cite: | Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-11-14 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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3ZO9
 | | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis | | Descriptor: | CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | | Deposit date: | 2013-02-21 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode.
Glycobiology, 23, 2013
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3ZOA
 | | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | | Deposit date: | 2013-02-21 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode.
Glycobiology, 23, 2013
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3V6P
 | | Crystal structure of the DNA-binding domain of dHax3, a TAL effector | | Descriptor: | dHax3 | | Authors: | Deng, D, Yan, C.Y, Pan, X.J, Wang, J.W, Shi, Y.G, Yan, N. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural Basis for Sequence-Specific Recognition of DNA by TAL Effectors
Science, 2012
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4A01
 | | Crystal Structure of the H-Translocating Pyrophosphatase | | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, IMIDODIPHOSPHORIC ACID, MAGNESIUM ION, ... | | Authors: | Lin, S.-M, Tsai, J.-Y, Hsiao, C.-D, Chiu, C.-L, Pan, R.-L, Sun, Y.-J. | | Deposit date: | 2011-09-07 | | Release date: | 2012-03-28 | | Last modified: | 2012-04-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structure of a Membrane Embedded H1-Translocating Pyrophosphatase
Nature, 484, 2012
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3V6T
 | | Crystal structure of the DNA-bound dHax3, a TAL effector, at 1.85 angstrom | | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), dHax3 | | Authors: | Deng, D, Yan, C.Y, Pan, X.J, Wang, J.W, Yan, N, Shi, Y.G. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Basis for Sequence-Specific Recognition of DNA by TAL Effectors
Science, 2012
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8I2N
 | | The RIPK1 kinase domain in complex with QY7-2B compound | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide | | Authors: | Gong, X.Y, Li, Y, Meng, H.Y, Pan, L.F. | | Deposit date: | 2023-01-14 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | The RIPK1 kinase domain in complex with QY7-2B compound
To Be Published
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6LXT
 | | Structure of post fusion core of 2019-nCoV S2 subunit | | Descriptor: | Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION | | Authors: | Zhu, Y, Sun, F. | | Deposit date: | 2020-02-11 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion.
Cell Res., 30, 2020
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6M4X
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6M4Z
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6LQA
 | | voltage-gated sodium channel Nav1.5 with quinidine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Quinidine, Sodium channel protein type 5 subunit alpha | | Authors: | Yan, N, Li, Z, Pan, X, Huang, G. | | Deposit date: | 2020-01-13 | | Release date: | 2021-03-24 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural Basis for Pore Blockade of the Human Cardiac Sodium Channel Na v 1.5 by the Antiarrhythmic Drug Quinidine*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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