5Z9Q
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![BU of 5z9q by Molmil](/molmil-images/mine/5z9q) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-04 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9B
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![BU of 5z9b by Molmil](/molmil-images/mine/5z9b) | Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine | Descriptor: | (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-02 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9M
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5Z4H
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![BU of 5z4h by Molmil](/molmil-images/mine/5z4h) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-01-11 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9F
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![BU of 5z9f by Molmil](/molmil-images/mine/5z9f) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9L
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![BU of 5z9l by Molmil](/molmil-images/mine/5z9l) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z4O
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5Z9P
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![BU of 5z9p by Molmil](/molmil-images/mine/5z9p) | |
2OFV
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![BU of 2ofv by Molmil](/molmil-images/mine/2ofv) | crystal structure of aminoquinazoline 1 bound to Lck | Descriptor: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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2OFU
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![BU of 2ofu by Molmil](/molmil-images/mine/2ofu) | x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | Descriptor: | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
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2OG8
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![BU of 2og8 by Molmil](/molmil-images/mine/2og8) | crystal structure of aminoquinazoline 36 bound to Lck | Descriptor: | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-05 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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2JHB
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![BU of 2jhb by Molmil](/molmil-images/mine/2jhb) | CORE BINDING FACTOR BETA | Descriptor: | PROTEIN (CORE BINDING FACTOR BETA) | Authors: | Huang, X, Peng, J, Speck, N.A, Bushweller, J.H. | Deposit date: | 1999-03-17 | Release date: | 1999-07-05 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of core binding factor beta and map of the CBF alpha binding site. Nat.Struct.Biol., 6, 1999
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2R8U
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7VOO
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![BU of 7voo by Molmil](/molmil-images/mine/7voo) | Induced alpha-2-macroglobulin monomer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ... | Authors: | Huang, X, Wang, Y, Ping, Z. | Deposit date: | 2021-10-14 | Release date: | 2022-10-19 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor. Sci China Life Sci, 65, 2022
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7VON
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![BU of 7von by Molmil](/molmil-images/mine/7von) | Native alpha-2-macroglobulin monomer | Descriptor: | Alpha-2-macroglobulin | Authors: | Huang, X, Wang, Y. | Deposit date: | 2021-10-14 | Release date: | 2022-11-16 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Cryo-EM structures reveal the dynamic transformation of human alpha-2-macroglobulin working as a protease inhibitor. Sci China Life Sci, 65, 2022
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7VM8
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![BU of 7vm8 by Molmil](/molmil-images/mine/7vm8) | Crystal structure of the MtDMI1 gating ring | Descriptor: | Ion channel DMI1 | Authors: | Huang, X, Zhang, P. | Deposit date: | 2021-10-08 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.034 Å) | Cite: | Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula. Proc.Natl.Acad.Sci.USA, 119, 2022
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2JXW
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4WBE
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![BU of 4wbe by Molmil](/molmil-images/mine/4wbe) | |
4WBP
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3M4O
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![BU of 3m4o by Molmil](/molmil-images/mine/3m4o) | RNA polymerase II elongation complex B | Descriptor: | DNA (28-MER), DNA (5'-D(P*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, D, Zhu, G, Huang, X, Lippard, S.J. | Deposit date: | 2010-03-11 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct. Proc.Natl.Acad.Sci.USA, 107, 2010
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4H07
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![BU of 4h07 by Molmil](/molmil-images/mine/4h07) | Complex of G65T Myoglobin with Phenol in its Proximal Cavity | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PHENOL, ... | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | Deposit date: | 2012-09-07 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Complex of myoglobin with phenol bound in a proximal cavity. Acta Crystallogr.,Sect.F, 68, 2012
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3ZIF
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![BU of 3zif by Molmil](/molmil-images/mine/3zif) | Cryo-EM structures of two intermediates provide insight into adenovirus assembly and disassembly | Descriptor: | HEXON PROTEIN, PENTON PROTEIN, PIX, ... | Authors: | Cheng, L, Huang, X, Li, X, Xiong, W, Sun, W, Yang, C, Zhang, K, Wang, Y, Liu, H, Ji, G, Sun, F, Zheng, C, Zhu, P. | Deposit date: | 2013-01-09 | Release date: | 2014-01-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-Em Structures of Two Bovine Adenovirus Type 3 Intermediates Virology, 450, 2014
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1NOQ
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![BU of 1noq by Molmil](/molmil-images/mine/1noq) | e-motif structure | Descriptor: | 5'-D(*CP*CP*GP*CP*CP*G)-3' | Authors: | Zheng, M, Huang, X, Smith, G.K, Yang, X, Gao, X. | Deposit date: | 2003-01-16 | Release date: | 2003-02-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Genetically unstable CXG repeats are structurally dynamic and have a high propensity for folding.
An NMR and UV spectroscopic study. J.Mol.Biol., 264, 1996
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1HWV
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![BU of 1hwv by Molmil](/molmil-images/mine/1hwv) | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-10 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
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1HX4
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![BU of 1hx4 by Molmil](/molmil-images/mine/1hx4) | MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | Authors: | Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S. | Deposit date: | 2001-01-11 | Release date: | 2001-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity. J.Mol.Biol., 306, 2001
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