Author results

5ZIO
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH L-CAPTOPRIL
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, L-CAPTOPRIL
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-16
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal structure of NDM-1
to be published
5ZJ1
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CYT-14
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, methyl (2R)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate, ...
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-18
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
5ZJ2
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-18
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of NDM-1
to be published
5ZJ7
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CY22
Descriptor:Metallo-beta-lactamase type 2, (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide, 1,2-ETHANEDIOL, ...
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
5ZJ8
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CY32
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, (2S)-2,3-disulfanylpropan-1-ol, ...
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
5ZJC
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CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE CY41
Descriptor:Metallo-beta-lactamase type 2, ZINC ION, 1,2-ETHANEDIOL, ...
Authors:Zhang, H., Hao, Q.
Deposit date:2018-03-20
Release date:2019-03-20
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
6ITW
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CRYSTAL STRUCTURE OF ATU4351 FROM AGROBACTERIUM TUMEFACIENS
Descriptor:Type VI immunity protein Atu4351
Authors:Shi, L., Gao, Z., Zhang, H., Dong, Y.
Deposit date:2018-11-26
Release date:2019-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the type VI immunity protein Tdi1 (Atu4351) from Agrobacterium tumefaciens.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6NPE
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD6), 2-CYANO-N-(4-(3,4-DICHLOROPHENYL)THIAZOL-2-YL)ACETAMIDE
Descriptor:Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ...
Authors:campobasso, N.
Deposit date:2019-01-17
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPU
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD29), N-(1-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ACETAMIDE
Descriptor:Tyrosine-protein kinase ABL1, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD51), N-(1-(3,4-DICHLOROPHENYL)-4-(2-HYDROXYETHYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ISONICOTINAMIDE
Descriptor:Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ...
Authors:campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6O1T
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BOVINE SALIVARY PROTEIN FORM 30B WITH OLEIC ACID
Descriptor:Short palate, lung and nasal epithelium carcinoma-associated protein 2B, CALCIUM ION, ...
Authors:Zhang, H., Arcus, V.L.
Deposit date:2019-02-21
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of BSP30B with oleic acid at 2.3 Angstroms resolution
To Be Published
6J20
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6J21
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CRYSTAL STRUCTURE OF THE HUMAN NK1 SUBSTANCE P RECEPTOR
Descriptor:Substance-P receptor,Endolysin, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Authors:Chen, S., Lu, M., Zhang, H., Wu, B., Zhao, Q.
Deposit date:2018-12-30
Release date:2019-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Nat Commun, 10, 2019
6J6F
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LIGAND BINDING DOMAIN 1 AND 2 OF TALAROMYCES MARNEFFEI MP1 PROTEIN
Descriptor:Envelope glycoprotein, NICKEL (II) ION
Authors:Lam, W.H., Zhang, H., Hao, Q.
Deposit date:2019-01-15
Release date:2019-03-06
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Talaromyces marneffeiMp1 protein, a novel virulence factor, carries two arachidonic acid-binding domains to suppress inflammatory responses in hosts.
Infect. Immun., 2019
6J71
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HUA21-SCFV IN COMPLEX WITH THE EXTRACELLULAR DOMAIN(ECD) OF HER2
Descriptor:Receptor tyrosine-protein kinase erbB-2, anti-HER2 humanized antibody HuA21, BETA-D-MANNOSE, ...
Authors:Wang, Z., Guo, G., Cheng, B., Zhu, Z., Niu, L., Zhang, H.
Deposit date:2019-01-16
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.918 Å)
Cite:Structural insight into a matured humanized monoclonal antibody HuA21 against HER2-overexpressing cancer cells
To Be Published
6E31
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CRYSTAL STRUCTURE OF RIAM IN AN AUTOINHIBITED CONFIGURATION.
Descriptor:Rap1-interacting adapter molecule
Authors:Chang, Y.C., Su, W., Zhang, H., Huang, Q., Philips, M.R., Wu, J.
Deposit date:2018-07-12
Release date:2019-02-20
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for autoinhibition of RIAM regulated by FAK in integrin activation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5Z6N
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CRYSTAL STRUCTURE OF ESCHERICHIA COLI ELAA
Descriptor:Protein ElaA
Authors:Shi, L.L., Gao, Z.Q., Zhang, H., Dong, Y.H.
Deposit date:2018-01-23
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Escherichia coli ElaA
To Be Published
6NFX
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MBTD1 MBT REPEATS
Descriptor:MBT domain-containing protein 1,Enhancer of polycomb homolog 1, UNKNOWN ATOM OR ION, SODIUM ION, ...
Authors:Zhang, H., Tempel, W., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2018-12-21
Release date:2019-01-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:MBTD1 MBT repeats
To Be Published
5Z5T
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THE FIRST BROMODOMAIN OF BRD4 WITH COMPOUND BDF-2141
Descriptor:Bromodomain-containing protein 4, 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol
Authors:Zhang, H., Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5U
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THE FIRST BROMODOMAIN OF BRD4 WITH COMPOUND BDF-2254
Descriptor:Bromodomain-containing protein 4, 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol
Authors:Zhang, H., Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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THE FIRST BROMODOMAIN OF BRD4 WITH COMPOUND BDF-1253
Descriptor:Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
Authors:Zhang, H., Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z4P
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CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-COMPOUND TCA COMPLEX
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Zhang, H., Luo, C.
Deposit date:2018-01-12
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Design of novel Tubulin inhibitors
To Be Published
6AKK
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CRYSTAL STRUCTURE OF THE SECOND COILED-COIL DOMAIN OF SIKE1
Descriptor:Suppressor of IKBKE 1, GLYCEROL
Authors:Zhou, L., Chen, M., Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6AKL
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CRYSTAL STRUCTURE OF STRIATIN3 IN COMPLEX WITH SIKE1 COILED-COIL DOMAIN
Descriptor:Suppressor of IKBKE 1, Striatin-3
Authors:Zhou, L., Chen, M., Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
6AKM
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CRYSTAL STRUCTURE OF SLMAP-SIKE1 COMPLEX
Descriptor:Suppressor of IKBKE 1, Sarcolemmal membrane-associated protein, GLYCEROL
Authors:Ma, J., Chen, M., Zhou, Z.C.
Deposit date:2018-09-02
Release date:2019-01-16
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019