4Z8L
 
 | | Crystal structure of DCAF1/SIV-MND VPX/MND SAMHD1 NTD ternary complex | | Descriptor: | Protein VPRBP, SAM domain and HD domain-containing protein, Vpx protein, ... | | Authors: | Koharudin, L.M, Wu, Y, Calero, G, Ahn, J, Gronenborn, A.M. | | Deposit date: | 2015-04-09 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of Clade-specific Engagement of SAMHD1 (Sterile alpha Motif and Histidine/Aspartate-containing Protein 1) Restriction Factors by Lentiviral Viral Protein X (Vpx) Virulence Factors.
J.Biol.Chem., 290, 2015
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2LY0
 | | Solution NMR structure of the influenza A virus S31N mutant (19-49) in presence of drug M2WJ332 | | Descriptor: | (3S,5S,7S)-N-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methyl}tricyclo[3.3.1.1~3,7~]decan-1-aminium, Membrane ion channel M2 | | Authors: | Wu, Y, Wang, J, DeGrado, W. | | Deposit date: | 2012-09-10 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and inhibition of the drug-resistant S31N mutant of the M2 ion channel of influenza A virus.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2NQ1
 | | Solution Structures of a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3' | | Authors: | Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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2NQ4
 | | Solution Structures of a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3' | | Authors: | Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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5JK7
 | | The X-ray structure of the DDB1-DCAF1-Vpr-UNG2 complex | | Descriptor: | DNA damage-binding protein 1, Protein VPRBP, Protein Vpr, ... | | Authors: | Calero, G, Ahn, J, Wu, Y. | | Deposit date: | 2016-04-26 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | The DDB1-DCAF1-Vpr-UNG2 crystal structure reveals how HIV-1 Vpr steers human UNG2 toward destruction.
Nat.Struct.Mol.Biol., 23, 2016
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5J97
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5J74
 | | Fluorogen activating protein AM2.2 in complex with TO1-2p | | Descriptor: | 1-(17-amino-5,8-dioxo-12,15-dioxa-4,9-diazaheptadecan-1-yl)-4-{[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium, PHOSPHATE ION, scFv AM2.2 | | Authors: | Stanfield, R.L, Wilson, I.A, Wu, Y. | | Deposit date: | 2016-04-05 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
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5J75
 | | Fluorogen Activating Protein AM2.2 in complex with ML342 | | Descriptor: | N,4-dimethyl-N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}benzene-1-sulfonamide, PHOSPHATE ION, scFv AM2.2 | | Authors: | Stanfield, R.L, Wilson, I.A, Wu, Y. | | Deposit date: | 2016-04-05 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Small-Molecule Nonfluorescent Inhibitors of Fluorogen-Fluorogen Activating Protein Binding Pair.
J Biomol Screen, 21, 2016
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5YOW
 | | The post-fusion structure of the Heartland virus Gc glycoprotein | | Descriptor: | Glycoprotein polyprotein, alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Wu, Y, Gao, F, Qi, J.X, Chai, Y. | | Deposit date: | 2017-10-31 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Postfusion Structure of the Heartland Virus Gc Glycoprotein Supports Taxonomic Separation of the Bunyaviral Families Phenuiviridae and Hantaviridae.
J. Virol., 92, 2018
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6LUO
 | | Structure of nurse shark beta-2-microglobulin | | Descriptor: | Beta-2-microglobulin | | Authors: | Xia, C, Wu, Y. | | Deposit date: | 2020-01-30 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | The Structure of a Peptide-Loaded Shark MHC Class I Molecule Reveals Features of the Binding between beta 2 -Microglobulin and H Chain Conserved in Evolution.
J Immunol., 2021
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8HKH
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7DNG
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7DNF
 | | DARPin 63_B7 in complex with V3-IY (MN) crown mimetic | | Descriptor: | DARPin 63_B7, SULFATE ION, V3-IY (MN) crown mimetic peptide | | Authors: | Wu, Y, Plueckthun, A. | | Deposit date: | 2020-12-09 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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7DNE
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7DVL
 | | Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Subtype A3 | | Descriptor: | Bont/A3, ZINC ION | | Authors: | Wu, Y, Leka, O, Kammerer, R, Li, X. | | Deposit date: | 2021-01-13 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Crystal structure of the catalytic domain of botulinum neurotoxin subtype A3.
J.Biol.Chem., 296, 2021
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4URT
 | | The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R. | | Deposit date: | 2014-07-02 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
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8UTE
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-31 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UPV
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UPW
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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5JYY
 | | Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid, CALCIUM ION, ... | | Authors: | Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X. | | Deposit date: | 2016-05-15 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses
J.Med.Chem., 59, 2016
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8DOL
 | | Mechanism of regulation of the Helicobacter pylori Cagbeta ATPase by CagZ | | Descriptor: | Cag pathogenicity island protein (Cag5), DI(HYDROXYETHYL)ETHER, SULFATE ION | | Authors: | Wu, X, Zhao, Y, Yang, W, Sun, L, Ye, X, Jiang, M, Wang, Q, Wang, Q, Zhang, X, Wu, Y. | | Deposit date: | 2022-07-13 | | Release date: | 2023-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanism of regulation of the Helicobacter pylori Cag beta ATPase by CagZ.
Nat Commun, 14, 2023
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3R1G
 | | Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody | | Descriptor: | Beta-secretase 1, FAB of YW412.8.31 antibody heavy chain, FAB of YW412.8.31 antibody light chain | | Authors: | Wang, W, Rouge, L, Wu, P, Chiu, C, Chen, Y, Wu, Y, Watts, R.J. | | Deposit date: | 2011-03-10 | | Release date: | 2011-06-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Therapeutic Antibody Targeting BACE1 Inhibits Amyloid-{beta} Production in Vivo.
Sci Transl Med, 3, 2011
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1FI7
 | | Solution structure of the imidazole complex of cytochrome C | | Descriptor: | CYTOCHROME C, HEME C, IMIDAZOLE | | Authors: | Banci, L, Bertini, I, Liu, G, Lu, J, Reddig, T, Tang, W, Wu, Y, Zhu, D. | | Deposit date: | 2000-08-03 | | Release date: | 2000-08-23 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Effects of extrinsic imidazole ligation on the molecular and electronic structure of cytochrome c
J.Biol.Inorg.Chem., 6, 2001
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1L4U
 | | CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AND PT(II) AT 1.8 ANGSTROM RESOLUTION | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | | Deposit date: | 2002-03-05 | | Release date: | 2002-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis.
J.Mol.Biol., 319, 2002
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1L4Y
 | | CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AT 2.0 ANGSTROM RESOLUTION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | | Deposit date: | 2002-03-06 | | Release date: | 2002-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis.
J.Mol.Biol., 319, 2002
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