6K57
 
 | | Crystal structure of dCas9 in complex with sgRNA and DNA (CGA PAM) | | Descriptor: | CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ... | | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | | Deposit date: | 2019-05-28 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
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6K4Q
 | | Crystal structure of xCas9 in complex with sgRNA and DNA (CGG PAM) | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), DNA (5'-D(*AP*AP*AP*CP*GP*GP*TP*AP*TP*TP*G)-3'), ... | | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | | Deposit date: | 2019-05-26 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
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2KFB
 | | The structure of the cataract causing P23T mutant of human gamma-D crystallin | | Descriptor: | Gamma-crystallin D | | Authors: | Jung, J, Byeon, I.L, Wang, Y, King, J, Gronenborn, A.M. | | Deposit date: | 2009-02-12 | | Release date: | 2009-07-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of the cataract-causing P23T mutant of human gammaD-crystallin exhibits distinctive local conformational and dynamic changes.
Biochemistry, 48, 2009
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2IEN
 | | Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2006-09-19 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
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3S45
 | | wild-type HIV-2 protease with antiviral drug amprenavir | | Descriptor: | CHLORIDE ION, IMIDAZOLE, Protease, ... | | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2011-05-18 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
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2LF0
 | | Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scattering, NESG target SfR339/OCSP target sf3636 | | Descriptor: | Uncharacterized protein yibL | | Authors: | Wu, B, Lemak, A, Yee, A, Lee, H, Gutmanas, A, Semesi, A, Garcia, M, Fang, X, Wang, Y, Prestegard, J.H, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | | Deposit date: | 2011-06-27 | | Release date: | 2011-07-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Solution structure of sf3636, a two-domain unknown function protein from Shigella flexneri 2a, determined by joint refinement of NMR, residual dipolar couplings and small-angle X-ray scattering
To be Published
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3AYQ
 | | Crystal structure of inhibitor bound lysozyme from Meretrix lusoria | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide, Lysozyme | | Authors: | Yoneda, K, Kuwano, Y, Usui, T, Ogata, M, Suzuki, A, Araki, T. | | Deposit date: | 2011-05-13 | | Release date: | 2012-05-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of inhibitor bound lysozyme from Meretrix lusoria
To be Published
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5GON
 | | Structures of a beta-lactam bridged analogue in complex with tubulin | | Descriptor: | (3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Zhou, L, Liu, Y, Cheng, L, Wang, Y. | | Deposit date: | 2016-07-28 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Potent Antitumor Activities and Structure Basis of the Chiral beta-Lactam Bridged Analogue of Combretastatin A-4 Binding to Tubulin.
J. Med. Chem., 59, 2016
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8GUP
 | | Crystal structure of EsaG from Staphylococcus aureus | | Descriptor: | CITRIC ACID, Type VII secretion system protein EsaG | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2022-09-13 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.298725 Å) | | Cite: | A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
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3KRN
 | | Crystal Structure of C. elegans cell-death-related nuclease 5(CRN-5) | | Descriptor: | Protein C14A4.5, confirmed by transcript evidence | | Authors: | Yang, C.-C, Wang, Y.-T, Hsiao, Y.-Y, Doudeva, L.G, Chow, S.Y, Yuan, H.S. | | Deposit date: | 2009-11-19 | | Release date: | 2010-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.918 Å) | | Cite: | Structural and biochemical characterization of CRN-5 and Rrp46: an exosome component participating in apoptotic DNA degradation
Rna, 16, 2010
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7WB2
 | | Oxidase ChaP-D49L/Y109F mutant | | Descriptor: | ChaP, FE (III) ION | | Authors: | Zong, Y, Zheng, W, Wang, Y, Zhu, J, Tan, R. | | Deposit date: | 2021-12-15 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5Z4U
 | | Crystal Structure of T2R-TTL complex with 7a3 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole, CALCIUM ION, ... | | Authors: | Lai, Q, Wang, Y, Yang, J, Yao, Y. | | Deposit date: | 2018-01-14 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Crystal Structure of T2R-TTL complex with 7a3
To Be Published
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8IL3
 | | Cryo-EM structure of CD38 in complex with FTL004 | | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain | | Authors: | Yang, J, Wang, Y, Zhang, G. | | Deposit date: | 2023-03-01 | | Release date: | 2023-03-29 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
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7DD0
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7X4P
 | | CD-NTase EfCdnE in complex with intermediate pppUpU | | Descriptor: | EfCdnE, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE, ... | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4C
 | | Native CD-NTase EfCdnE | | Descriptor: | EfCdnE, L(+)-TARTARIC ACID | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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7X4Q
 | | LpCdnE UTP Mg complex | | Descriptor: | Cyclic dipyrimidine nucleotide synthase, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | Authors: | Chen, Y, Ko, T.P, Yang, C.S, Wang, Y.C, Hou, M.H. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure and functional implications of cyclic di-pyrimidine-synthesizing cGAS/DncV-like nucleotidyltransferases.
Nat Commun, 14, 2023
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5ZRF
 | | Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA and etoposide in space group p21 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA topoisomerase 2-beta, ... | | Authors: | Chen, S.F, Wang, Y.R, Wu, C.C, Chan, N.L. | | Deposit date: | 2018-04-24 | | Release date: | 2018-08-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate.
Nat Commun, 9, 2018
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7XMK
 | | Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | | Descriptor: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Zhang, L, Wang, Y, Li, Y, Yang, S. | | Deposit date: | 2022-04-26 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.376 Å) | | Cite: | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases.
J.Med.Chem., 67, 2024
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8IL5
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4JKR
 | | Crystal Structure of E. coli RNA Polymerase in complex with ppGpp | | Descriptor: | DNA-DIRECTED RNA POLYMERASE SUBUNIT BETA', DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Zuo, Y, Wang, Y, Steitz, T.A. | | Deposit date: | 2013-03-11 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | The mechanism of E. coli RNA polymerase regulation by ppGpp is suggested by the structure of their complex.
Mol.Cell, 50, 2013
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6GL8
 | | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | | Descriptor: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | | Authors: | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | | Deposit date: | 2018-05-23 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
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7V8H
 | | Crystal structure of LRR domain from Shigella flexneri IpaH1.4 | | Descriptor: | RING-type E3 ubiquitin transferase | | Authors: | Liu, J, Wang, Y, Pan, L. | | Deposit date: | 2021-08-23 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8JFQ
 | | Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-back Loop | | Descriptor: | 26mer-DNA | | Authors: | Liu, Y, Li, J, Zhang, Y, Wang, Y, Chen, J, Bian, Y, Xia, Y, Yang, M.H, Zheng, K, Wang, K.B, Kong, L.Y. | | Deposit date: | 2023-05-18 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Major G-Quadruplex in the Human EGFR Oncogene Promoter Adopts a Unique Folding Topology with a Distinctive Snap-Back Loop.
J.Am.Chem.Soc., 145, 2023
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1A52
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