3QBA
 
 | | Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Z-DNA (X-ray) | | Descriptor: | Z-DNA | | Authors: | Fenn, T.D, Schnieders, M.J, Mustyakimov, M, Wu, C, Langan, P, Pande, V.S, Brunger, A.T. | | Deposit date: | 2011-01-12 | | Release date: | 2011-03-02 | | Last modified: | 2024-02-21 | | Method: | NEUTRON DIFFRACTION (1.53 Å), X-RAY DIFFRACTION | | Cite: | Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration.
Structure, 19, 2011
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1FSY
 | | AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID | | Descriptor: | CEPHALOSPORINASE, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID, PHOSPHATE ION | | Authors: | Caselli, E, Powers, R.A, Blasczcak, L.C, Wu, C.Y, Prati, F, Shoichet, B.K. | | Deposit date: | 2000-09-11 | | Release date: | 2001-03-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases.
Chem.Biol., 8, 2001
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8X1N
 | | Cryo-EM structure of human alpha-fetoprotein | | Descriptor: | Alpha-fetoprotein, PALMITIC ACID, ZINC ION, ... | | Authors: | Liu, Z.M, Li, M.S, Wu, C, Liu, K. | | Deposit date: | 2023-11-08 | | Release date: | 2024-05-15 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Structural characteristics of alpha-fetoprotein, including N-glycosylation, metal ion and fatty acid binding sites.
Commun Biol, 7, 2024
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1OQC
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3R7C
 | | The structure of a hexahestidine-tagged form of augmenter of liver regeneration reveals a novel Cd(2)Cl(4)O(6) cluster that aids in crystal packing | | Descriptor: | CADMIUM ION, CHLORIDE ION, FAD-linked sulfhydryl oxidase ALR, ... | | Authors: | Florence, Q.J, Wu, C.-K, Swindell II, J.T, Wang, B.C, Rose, J.P. | | Deposit date: | 2011-03-22 | | Release date: | 2012-03-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure of a hexahestidine-tagged form of augmenter of liver regeneration reveals a novel Cd(2)Cl(4)O(6) cluster that aids in crystal packing
To be Published
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8HI2
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6LN1
 | | A natural inhibitor of DYRK1A for treatment of diabetes mellitus | | Descriptor: | 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C. | | Deposit date: | 2019-12-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
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6C54
 | | Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit | | Descriptor: | Nucleoprotein | | Authors: | Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W. | | Deposit date: | 2018-01-13 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
Cell, 172, 2018
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4P2G
 | | Crystal structure of DJ-1 in sulfinic acid form (aged crystal) | | Descriptor: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Protein DJ-1 | | Authors: | Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
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8I0B
 | | The crystal structure of human glutamate receptor 2 in complex with LT-102 | | Descriptor: | 8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide, CHLORIDE ION, Glutamate receptor 2,Isoform Flip of Glutamate receptor 2, ... | | Authors: | Qi, X.Y, Wu, C.Y. | | Deposit date: | 2023-01-10 | | Release date: | 2024-02-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure of the human GluA2 LBD in complex with LT-102
To Be Published
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4P36
 | | Crystal structure of DJ-1 With Zn(II) bound (crystal 2) | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Protein DJ-1, ZINC ION | | Authors: | Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K. | | Deposit date: | 2014-03-05 | | Release date: | 2014-04-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.182 Å) | | Cite: | Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
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4P35
 | | Crystal structure of DJ-1 with Zinc(II) bound (crystal I) | | Descriptor: | CHLORIDE ION, GLYCEROL, Protein DJ-1, ... | | Authors: | Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K. | | Deposit date: | 2014-03-05 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
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4P34
 | | Crystal structure of DJ-1 in sulfenic acid form (fresh crystal) | | Descriptor: | PENTAETHYLENE GLYCOL, Protein DJ-1 | | Authors: | Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K. | | Deposit date: | 2014-03-05 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
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1MN4
 | | Structure of Ndt80 (Residues 59-340) DNA-binding domain core | | Descriptor: | NDT80 PROTEIN | | Authors: | Lamoureux, J.S, Stuart, D, Tsang, R, Wu, C, Glover, J.N.M. | | Deposit date: | 2002-09-04 | | Release date: | 2002-11-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the sporulation-specific transcription factor Ndt80 bound to DNA
Embo J., 21, 2002
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8X7A
 | | Treprostinil bound Prostacyclin Receptor G protein complex | | Descriptor: | 2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, J.J, Jin, S, Zhang, H, Xu, Y, Hu, W, Jiang, Y, Chen, C, Wang, D.W, Xu, H.E, Wu, C. | | Deposit date: | 2023-11-23 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Molecular recognition and activation of the prostacyclin receptor by anti-pulmonary arterial hypertension drugs.
Sci Adv, 10, 2024
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7Y99
 | | Crystal Structure Analysis of cp2 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-24 | | Release date: | 2023-09-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YAA
 | | Crystal structure analysis of cp3 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ... | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7Y8D
 | | Crystal structure of cp1 bound BCLxl | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YA5
 | | Crystal structure analysis of cp1 bound BCL2/G101V | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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5J6A
 | | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | | Descriptor: | (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | | Authors: | Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2016-04-04 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.045 Å) | | Cite: | Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors.
J. Med. Chem., 60, 2017
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8HHS
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7WPB
 | | SARS-CoV-2 Omicron Variant RBD complexed with ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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7WPC
 | | The second RBD of SARS-CoV-2 Omicron Variant in complexed with RBD-ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S, Xu, E. | | Deposit date: | 2022-01-23 | | Release date: | 2022-03-09 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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4FVB
 | | Crystal structure of EV71 2A proteinase C110A mutant | | Descriptor: | 2A proteinase, ZINC ION | | Authors: | Cai, Q, Muhammad, Y, Liu, W, Gao, Z, Peng, X, Cai, Y, Wu, C, Zheng, Q, Li, J, Lin, T. | | Deposit date: | 2012-06-29 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational Plasticity of 2A Proteinase from Enterovirus 71
J.Virol., 87, 2013
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7WRV
 | | The interface of JMB2002 Fab binds to SARS-CoV-2 Omicron Variant S | | Descriptor: | JMB2002 Fab heavy chain, JMB2002 Fab light chain, Spike glycoprotein | | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | | Deposit date: | 2022-01-27 | | Release date: | 2022-03-23 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
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