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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
4NDY
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BU of 4ndy by Molmil
Human MHF1-MHF2 DNA complex
Descriptor: Centromere protein S, Centromere protein X, DNA (26-MER)
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (6.999 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NE1
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BU of 4ne1 by Molmil
Human MHF1 MHF2 DNA complexes
Descriptor: Centromere protein S, Centromere protein X, DNA (26-MER)
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (6.499 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NE6
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BU of 4ne6 by Molmil
Human MHF1-MHF2 complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2013-12-25
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.1001 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NE5
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BU of 4ne5 by Molmil
Human MHF1-MHF2 complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2013-12-25
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NE3
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BU of 4ne3 by Molmil
Human MHF1-MHF2 complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2013-12-25
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.8007 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
8K8K
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BU of 8k8k by Molmil
Structure of Klebsiella pneumonia ModA
Descriptor: Molybdate transporter periplasmic protein
Authors:Zhao, Q, Bartlam, M.
Deposit date:2023-07-31
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural analysis of molybdate binding protein ModA from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 681, 2023
8K8L
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BU of 8k8l by Molmil
Structure of Klebsiella pneumonia ModA with molybdate
Descriptor: MOLYBDATE ION, Molybdate transporter periplasmic protein
Authors:Zhao, Q, Bartlam, M.
Deposit date:2023-07-31
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural analysis of molybdate binding protein ModA from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 681, 2023
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
5F21
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BU of 5f21 by Molmil
human CD38 in complex with nanobody MU375
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, GLYCEROL, SULFATE ION, ...
Authors:Hao, Q, Zhang, H.
Deposit date:2015-12-01
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immuno-targeting the multifunctional CD38 using nanobody
Sci Rep, 6, 2016
3NS2
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BU of 3ns2 by Molmil
High-resolution structure of pyrabactin-bound PYL2
Descriptor: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2
Authors:Hao, Q, Yin, P, Yan, C, Yuan, X, Wang, J, Yan, N.
Deposit date:2010-07-01
Release date:2010-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.634 Å)
Cite:Single amino acid alteration between Valine and Isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2
J.Biol.Chem., 285, 2010
7KMA
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BU of 7kma by Molmil
Crystal structure of eif2Balpha with a ligand.
Descriptor: 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Translation initiation factor eIF-2B subunit alpha
Authors:Nocek, B, Hao, Q, Remarcik, C, Stoll, V, Wong, Y, Sidrauski, C.
Deposit date:2020-11-02
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sugar phosphate activation of the stress sensor eIF2B.
Nat Commun, 12, 2021
7KMF
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BU of 7kmf by Molmil
Sugar phosphate activation of the stress sensor eIF2B
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
Authors:Nocek, B, Hao, Q, Wong, Y, Stoll, V, Sidrauski, C.
Deposit date:2020-11-02
Release date:2021-07-14
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Sugar phosphate activation of the stress sensor eIF2B.
Nat Commun, 12, 2021
4NZW
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BU of 4nzw by Molmil
Crystal Structure of STK25-MO25 Complex
Descriptor: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, Calcium-binding protein 39, Serine/threonine-protein kinase 25
Authors:Feng, M, Hao, Q, Zhou, Z.C.
Deposit date:2013-12-13
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.583 Å)
Cite:Structural insights into regulatory mechanisms of MO25-mediated kinase activation.
J.Struct.Biol., 186, 2014
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
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:2024-04-03
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
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:2024-04-03
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:2024-04-03
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
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
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
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
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
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
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

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數據於2024-07-17公開中

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