4AOJ
 
 | | Human TrkA in complex with the inhibitor AZ-23 | | Descriptor: | 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION | | Authors: | Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H. | | Deposit date: | 2012-03-28 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
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2LI6
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3M91
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4ZS3
 | | Structural complex of 5-aminofluorescein bound to the FTO protein | | Descriptor: | 2-OXOGLUTARIC ACID, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | | Authors: | Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. | | Deposit date: | 2015-05-13 | | Release date: | 2015-11-04 | | Last modified: | 2015-11-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
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4ZS2
 | | Structural complex of FTO/fluorescein | | Descriptor: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | | Authors: | Wang, T, Hong, T, Huang, Y, Yang, C.G, Zhou, X. | | Deposit date: | 2015-05-13 | | Release date: | 2015-11-04 | | Last modified: | 2015-11-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Fluorescein Derivatives as Bifunctional Molecules for the Simultaneous Inhibiting and Labeling of FTO Protein
J.Am.Chem.Soc., 137, 2015
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4FZX
 | | Exonuclease X in complex with 3' overhanging duplex DNA | | Descriptor: | DNA (5'-D(P*CP*GP*GP*AP*TP*CP*CP*AP*CP*AP*AP*TP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, ... | | Authors: | Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T. | | Deposit date: | 2012-07-08 | | Release date: | 2013-07-03 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
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4FZY
 | | Exonuclease X in complex with 12bp blunt-ended dsDNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*AP*GP*AP*TP*TP*CP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*GP*AP*AP*TP*CP*TP*AP*CP*A)-3'), Exodeoxyribonuclease 10, ... | | Authors: | Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T. | | Deposit date: | 2012-07-08 | | Release date: | 2013-07-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
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4FZZ
 | | Exonuclease X in complex with 5' overhanging duplex DNA | | Descriptor: | DNA (5'-D(*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, SODIUM ION | | Authors: | Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T. | | Deposit date: | 2012-07-08 | | Release date: | 2013-07-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
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4EEQ
 | | Crystal structure of E. faecalis DNA ligase with inhibitor | | Descriptor: | 4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | | Authors: | Wang, T, Charifson, P, Wei, Y. | | Deposit date: | 2012-03-28 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis and Activity Evaluation of Potent NAD+ DNA Ligase Inhibitors as Potential Antibacterial Agents.
To be Published
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4FPD
 | | Deprotonation of D96 in bacteriorhodopsin opens the proton uptake pathway | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, CHLORIDE ION, ... | | Authors: | Wang, T, Sessions, A.O, Lunde, C.S, Rouani, S, Glaeser, R.M, Facciotti, M.T, Duan, Y. | | Deposit date: | 2012-06-22 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Deprotonation of d96 in bacteriorhodopsin opens the proton uptake pathway.
Structure, 21, 2013
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1ZMF
 | | C domain of human cyclophilin-33(hcyp33) | | Descriptor: | Peptidyl-prolyl cis-trans isomerase E | | Authors: | Wang, T, Yun, C.-H, Gu, S.-Y, Chang, W.-R, Liang, D.-C. | | Deposit date: | 2005-05-10 | | Release date: | 2005-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 1.88A crystal structure of the C domain of hCyP33: A novel domain of peptidyl-prolyl cis-trans isomerase
Biochem.Biophys.Res.Commun., 333, 2005
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3NAO
 | | A DNA Crystal Designed to Contain Two Molecules per Asymmetric Unit Cell | | Descriptor: | DNA (5'-D(*AP*GP*CP*CP*TP*AP*CP*CP*TP*GP*CP*GP*TP*GP*GP*AP*CP*AP*GP*AP*C)-3'), DNA (5'-D(*CP*TP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), ... | | Authors: | Wang, T, Sha, R, Birktoft, J.J, Zheng, J, Mao, M, Seeman, N.C. | | Deposit date: | 2010-06-02 | | Release date: | 2011-11-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (5.03 Å) | | Cite: | A DNA crystal designed to contain two molecules per asymmetric unit.
J.Am.Chem.Soc., 132, 2010
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6KPP
 | | BNC105 in complex with tubulin | | Descriptor: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, T, Wu, C, Pu, D. | | Deposit date: | 2019-08-15 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.74524117 Å) | | Cite: | Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design.
Biochem.Biophys.Res.Commun., 2020
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2H3D
 | | Crystal Structure of Mouse Nicotinamide Phosphoribosyltransferase/Visfatin/Pre-B Cell Colony Enhancing Factor in Complex with Nicotinamide Mononuleotide | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide phosphoribosyltransferase | | Authors: | Wang, T, Zhang, X, Bheda, P, Revollo, J.R, Imai, S.I, Wolberger, C. | | Deposit date: | 2006-05-22 | | Release date: | 2006-06-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Nampt/PBEF/visfatin, a mammalian NAD(+) biosynthetic enzyme.
Nat.Struct.Mol.Biol., 13, 2006
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2H3B
 | | Crystal Structure of Mouse Nicotinamide Phosphoribosyltransferase/Visfatin/Pre-B Cell Colony Enhancing Factor 1 | | Descriptor: | Nicotinamide phosphoribosyltransferase, SULFATE ION | | Authors: | Wang, T, Zhang, X, Bheda, P, Revollo, J.R, Imai, S.I, Wolberger, C. | | Deposit date: | 2006-05-22 | | Release date: | 2006-06-20 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of Nampt/PBEF/visfatin, a mammalian NAD(+) biosynthetic enzyme.
Nat.Struct.Mol.Biol., 13, 2006
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2L7Y
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7DYG
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7DYQ
 | | Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile | | Descriptor: | 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile, FE (III) ION, Lysine-specific demethylase 4D | | Authors: | Wang, T, Yang, L. | | Deposit date: | 2021-01-22 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
To Be Published
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7LXF
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1UQS
 | | The Crystal Structure of Human CD1b with a Bound Bacterial Glycolipid | | Descriptor: | BETA-2-MICROGLOBULIN, GLUCOSE MONOMYCOLATE, T-CELL SURFACE GLYCOPROTEIN CD1B | | Authors: | Batuwangala, T, Shepherd, D, Gadola, S.D, Gibson, K.J.C, Zaccai, N.R, Besra, G.S, Cerundolo, V, Jones, E.Y. | | Deposit date: | 2003-10-16 | | Release date: | 2003-10-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The crystal structure of human CD1b with a bound bacterial glycolipid.
J Immunol., 172, 2004
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1UOS
 | | The Crystal Structure of the Snake Venom Toxin Convulxin | | Descriptor: | CONVULXIN ALPHA, CONVULXIN BETA | | Authors: | Batuwangala, T, Leduc, M, Gibbins, J.M, Bon, C, Jones, E.Y. | | Deposit date: | 2003-09-22 | | Release date: | 2003-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Snake-Venom Toxin Convulxin
Acta Crystallogr.,Sect.D, 60, 2004
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3KCK
 | | A Novel Chemotype of Kinase Inhibitors | | Descriptor: | 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol, Tyrosine-protein kinase JAK2 | | Authors: | Zuccola, H.J, Wang, T, Ledeboer, M.W. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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8YMJ
 | | Cryo-EM structure of Hepatitis B virus surface antigen subviral particle with D2 symmetry | | Descriptor: | Isoform S of Large envelope protein | | Authors: | Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H. | | Deposit date: | 2024-03-09 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Inherent symmetry and flexibility in hepatitis B virus subviral particles
Science, 2024
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8YMK
 | | Localized reconstruction of Hepatitis B virus surface antigen dimer in the subviral particle with D2 symmetry from dataset A0 | | Descriptor: | Isoform S of Large envelope protein | | Authors: | Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H. | | Deposit date: | 2024-03-09 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Inherent symmetry and flexibility in hepatitis B virus subviral particles
Science, 2024
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3WA5
 | | Crystal Structure of type VI peptidoglycan muramidase effector Tse3 in complex with its cognate immunity protein Tsi3 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Tse3-specific immunity protein, ... | | Authors: | Ding, J, Wang, T, Liu, W, Wang, D.C. | | Deposit date: | 2013-04-26 | | Release date: | 2013-10-02 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Complex structure of type VI peptidoglycan muramidase effector and a cognate immunity protein.
Acta Crystallogr.,Sect.D, 69, 2013
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