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2NS2
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BU of 2ns2 by Molmil
Crystal Structure of Spindlin1
Descriptor: PHOSPHATE ION, Spindlin-1
Authors:Zhao, Q, Qin, L, Jiang, F, Wu, B, Yue, W, Xu, F, Rong, Z, Yuan, H, Xie, X, Gao, Y, Bai, C, Bartlam, M.
Deposit date:2006-11-02
Release date:2006-11-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human spindlin1. Tandem tudor-like domains for cell cycle regulation
J.Biol.Chem., 282, 2007
5Z10
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BU of 5z10 by Molmil
Structure of the mechanosensitive Piezo1 channel
Descriptor: Piezo-type mechanosensitive ion channel component 1
Authors:Zhao, Q, Zhou, H, Chi, S, Wang, Y, Wang, J, Geng, J, Wu, K, Liu, W, Zhang, T, Dong, M.-Q, Wang, J, Li, X, Xiao, B.
Deposit date:2017-12-22
Release date:2018-01-31
Last modified:2020-01-29
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structure and mechanogating mechanism of the Piezo1 channel.
Nature, 554, 2018
1ZZ5
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BU of 1zz5 by Molmil
Molecular Recognition of RNA by Neomycin and a Restricted Neomycin Derivative
Descriptor: 13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*C)-3', 5'-R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3', ...
Authors:Zhao, Q, Zhao, F, Blount, K.F, Han, Q, Tor, Y, Hermann, T.
Deposit date:2005-06-13
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular recognition of RNA by neomycin and a restricted neomycin derivative
Angew.Chem.Int.Ed.Engl., 44, 2005
2A04
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BU of 2a04 by Molmil
Molecular Recognition of RNA by Neomycin and a Restricted Neomycin Derivative
Descriptor: 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*C)-3', 5'-R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3', MAGNESIUM ION, ...
Authors:Zhao, Q, Zhao, F, Blount, K.F, Han, Q, Tor, Y, Hermann, T.
Deposit date:2005-06-15
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular recognition of RNA by neomycin and a restricted neomycin derivative
Angew.Chem.Int.Ed.Engl., 44, 2005
3BR9
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BU of 3br9 by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
Descriptor: (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2007-12-21
Release date:2008-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
3BSC
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BU of 3bsc by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
Descriptor: 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2007-12-23
Release date:2008-12-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
3GYN
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BU of 3gyn by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor
Descriptor: N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2009-04-04
Release date:2009-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3IGV
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BU of 3igv by Molmil
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor
Descriptor: N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2009-07-28
Release date:2009-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3CDE
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BU of 3cde by Molmil
Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor
Descriptor: N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2008-02-26
Release date:2009-03-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments.
Bioorg.Med.Chem.Lett., 18, 2008
3D5M
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BU of 3d5m by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
Descriptor: N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2008-05-16
Release date:2009-05-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
3CVK
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BU of 3cvk by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
Descriptor: N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2008-04-18
Release date:2009-04-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
5K9I
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BU of 5k9i by Molmil
Crystal structure of c-SRC in complex with a covalent lysine probe
Descriptor: 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Proto-oncogene tyrosine-protein kinase Src
Authors:Wan, X, Ouyang, S, Zhao, Q, Taunton, J.
Deposit date:2016-05-31
Release date:2017-02-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes.
J. Am. Chem. Soc., 139, 2017
1ZX7
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BU of 1zx7 by Molmil
Molecular Recognition of RNA by Neomycin and a Restricted Neomycin Derivative
Descriptor: 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*AP*CP*C)-3', 5'-R(*GP*UP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*CP*GP*G)-3'
Authors:Zhao, Q, Zhao, F, Blount, K.F, Han, Q, Tor, Y, Hermann, T.
Deposit date:2005-06-07
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular recognition of RNA by neomycin and a restricted neomycin derivative
Angew.Chem.Int.Ed.Engl., 44, 2005
8W22
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BU of 8w22 by Molmil
Umb1 umbrella toxin particle (local refinement of UmbB1 bound ALF of UmbC1 and UmbA1)
Descriptor: Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein
Authors:Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D.
Deposit date:2024-02-19
Release date:2024-04-17
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 629, 2024
8W20
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BU of 8w20 by Molmil
Umb1 umbrella toxin particle
Descriptor: Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein
Authors:Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D.
Deposit date:2024-02-19
Release date:2024-04-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 629, 2024
1HLZ
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BU of 1hlz by Molmil
CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT
Descriptor: 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ...
Authors:Sierk, M.L, Zhao, Q, Rastinejad, F.
Deposit date:2000-12-04
Release date:2001-11-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
3BSA
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BU of 3bsa by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
Descriptor: 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase
Authors:Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
Deposit date:2007-12-23
Release date:2008-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
4MBS
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BU of 4mbs by Molmil
Crystal Structure of the CCR5 Chemokine Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ...
Authors:Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B.
Deposit date:2013-08-19
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
1GA5
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BU of 1ga5 by Molmil
CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT
Descriptor: 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*(5IT)P*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ...
Authors:Sierk, M.L, Zhao, Q, Rastinejad, F.
Deposit date:2000-11-29
Release date:2001-11-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
6LML
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BU of 6lml by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gi1
Descriptor: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Qiao, A, Han, S, Li, X, Sun, F, Zhao, Q, Wu, B.
Deposit date:2019-12-26
Release date:2020-04-01
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
6LMK
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BU of 6lmk by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gs
Descriptor: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Qiao, A, Han, S, Tai, L, Sun, F, Zhao, Q, Wu, B.
Deposit date:2019-12-26
Release date:2020-04-01
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
3A2A
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BU of 3a2a by Molmil
The structure of the carboxyl-terminal domain of the human voltage-gated proton channel Hv1
Descriptor: CHLORIDE ION, Voltage-gated hydrogen channel 1
Authors:Li, S.J, Unno, H, Zhou, Q, Zhao, Q, Zhai, Y, Sun, F.
Deposit date:2009-05-08
Release date:2010-02-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role and structure of the carboxyl-terminal domain of the human voltage-gated proton channel Hv1.
J.Biol.Chem., 285, 2010
5TGZ
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BU of 5tgz by Molmil
Crystal Structure of the Human Cannabinoid Receptor CB1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ...
Authors:Hua, T, Vemuri, K, Pu, M, Qu, L, Han, G.W, Wu, Y, Zhao, S, Shui, W, Li, S, Korde, A, Laprairie, R.B, Stahl, E.L, Ho, J.H, Zvonok, N, Zhou, H, Kufareva, I, Wu, B, Zhao, Q, Hanson, M.A, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
Deposit date:2016-09-28
Release date:2016-11-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Human Cannabinoid Receptor CB1.
Cell, 167, 2016
4B3N
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BU of 4b3n by Molmil
Crystal structure of rhesus TRIM5alpha PRY/SPRY domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MALTOSE-BINDING PERIPLASMIC PROTEIN, TRIPARTITE MOTIF-CONTAINING PROTEIN 5, ...
Authors:Yang, H, Ji, X, Zhao, Q, Xiong, Y.
Deposit date:2012-07-25
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Insight Into HIV-1 Capsid Recognition by Rhesus Trim5Alpha
Proc.Natl.Acad.Sci.USA, 109, 2012
6FK5
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BU of 6fk5 by Molmil
Structure of 3' phosphatase NExo (D146N) from Neisseria bound to DNA substrate in presence of magnesium ion
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(P*CP*TP*AP*GP*CP*GP*AP*AP*GP*CP*TP*AP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Silhan, J, Zhao, Q, Boura, E, Thomson, H, Foster, A, Tang, C.M, Freemont, P.S, Baldwin, G.S.
Deposit date:2018-01-23
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis for recognition and repair of the 3'-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis.
Nucleic Acids Res., 46, 2018

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