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PDB: 655 件
1JWZ
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Crystal structure of TEM-64 beta-lactamase in complex with a boronic acid inhibitor (105)
分子名称: Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2001-09-05
公開日2002-06-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
1JWV
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Crystal structure of G238A mutant of TEM-1 beta-lactamase in complex with a boronic acid inhibitor (sefb4)
分子名称: BETA-LACTAMASE TEM, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, POTASSIUM ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2001-09-05
公開日2002-06-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
1JWP
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Structure of M182T mutant of TEM-1 beta-lactamase
分子名称: BETA-LACTAMASE TEM, PHOSPHATE ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2001-09-04
公開日2002-06-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
6H22
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Crystal structure of Mdm2 bound to a stapled peptide
分子名称: 12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium, E3 ubiquitin-protein ligase Mdm2, Stapled peptide
著者Wang, X, Sharma, K, Spring, D.R, Hyvonen, M.
登録日2018-07-12
公開日2019-07-31
最終更新日2019-09-11
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry.
Org.Biomol.Chem., 17, 2019
1LI0
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Crystal structure of TEM-32 beta-Lactamase at 1.6 Angstrom
分子名称: BICARBONATE ION, Class A beta-Lactamase- TEM-32, POTASSIUM ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2002-04-17
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
1LHY
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Crystal structure of TEM-30 beta-Lactamase at 2.0 Angstrom
分子名称: Class A beta-Lactamase- TEM 30, PHOSPHATE ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2002-04-17
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
1LI9
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Crystal structure of TEM-34 beta-Lactamase at 1.5 Angstrom
分子名称: Class A beta-Lactamase- TEM-34, PHOSPHATE ION, POTASSIUM ION
著者Wang, X, Minasov, G, Shoichet, B.K.
登録日2002-04-17
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The structural bases of antibiotic resistance in the clinically derived mutant beta-lactamases TEM-30, TEM-32, and TEM-34.
J.Biol.Chem., 277, 2002
1LXF
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Structure of the Regulatory N-domain of Human Cardiac Troponin C in Complex with Human Cardiac Troponin-I(147-163) and Bepridil
分子名称: 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, CALCIUM ION, TROPONIN C, ...
著者Wang, X, Li, M.X, Sykes, B.D.
登録日2002-06-05
公開日2002-12-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the regulatory N-domain of human cardiac troponin C in complex with human cardiac troponin I147-163 and bepridil.
J.Biol.Chem., 277, 2002
1NXY
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Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2)
分子名称: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase TEM, POTASSIUM ION
著者Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
登録日2003-02-11
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
1NYM
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Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB)
分子名称: Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ...
著者Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
登録日2003-02-12
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
1NYY
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Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (105)
分子名称: Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
著者Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
登録日2003-02-14
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
1NY0
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Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (NBF)
分子名称: Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ...
著者Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
登録日2003-02-11
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Recognition and Resistance in TEM beta-lactamase
Biochemistry, 42, 2003
2B5I
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cytokine receptor complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common gamma chain, ...
著者Wang, X, Rickert, M, Garcia, K.C.
登録日2005-09-28
公開日2005-11-29
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the quaternary complex of interleukin-2 with its alpha, beta, and gammac receptors.
Science, 310, 2005
6UWL
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GltPh in complex with L-aspartate and sodium ions in intermediate outward-facing state
分子名称: ASPARTIC ACID, Glutamate transporter homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Wang, X, Boudker, O.
登録日2019-11-05
公開日2020-04-22
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Use of paramagnetic 19 F NMR to monitor domain movement in a glutamate transporter homolog.
Nat.Chem.Biol., 16, 2020
6UWF
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BU of 6uwf by Molmil
GltPh in complex with L-aspartate and sodium ions in outward-facing state
分子名称: ASPARTIC ACID, Glutamate transporter homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Wang, X, Boudker, O.
登録日2019-11-05
公開日2020-06-03
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Use of paramagnetic 19 F NMR to monitor domain movement in a glutamate transporter homolog.
Nat.Chem.Biol., 16, 2020
7YBN
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BU of 7ybn by Molmil
SARS-CoV-2 C.1.2 variant spike (Open state)
分子名称: Spike glycoprotein
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献SARS-CoV-2 lambda variant spike
To Be Published
5K0K
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BU of 5k0k by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434
分子名称: 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V.
登録日2016-05-17
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.
ACS Med Chem Lett, 7, 2016
4QPG
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BU of 4qpg by Molmil
Crystal structure of empty hepatitis A virus
分子名称: CHLORIDE ION, Capsid protein VP0, Capsid protein VP1, ...
著者Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
登録日2014-06-23
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
4QPI
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Crystal structure of hepatitis A virus
分子名称: CHLORIDE ION, Capsid protein VP1, Capsid protein VP2, ...
著者Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
登録日2014-06-23
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
6V5L
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The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22
分子名称: (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A.
登録日2019-12-04
公開日2019-12-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Chemical Biology & Drug Design, 94, 2019
6VRO
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BU of 6vro by Molmil
The structure of the PP2A B56 subunit AIM1 complex
分子名称: Beta/gamma crystallin domain-containing protein 1, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform
著者Wang, X, Page, R, Peti, W.
登録日2020-02-08
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A dynamic charge-charge interaction modulates PP2A:B56 substrate recruitment.
Elife, 9, 2020
8WIL
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BU of 8wil by Molmil
Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D55 construct)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Jingmen tick virus NSP1, ...
著者Wang, X, Jing, X, Deng, F, Gong, P.
登録日2023-09-24
公開日2024-01-17
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A jingmenvirus RNA-dependent RNA polymerase structurally resembles the flavivirus counterpart but with different features at the initiation phase.
Nucleic Acids Res., 52, 2024
8WIM
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Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D307 construct)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Jingmen tick virus NSP1, ...
著者Wang, X, Jing, X, Deng, F, Gong, P.
登録日2023-09-24
公開日2024-01-17
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A jingmenvirus RNA-dependent RNA polymerase structurally resembles the flavivirus counterpart but with different features at the initiation phase.
Nucleic Acids Res., 52, 2024
6X15
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Inward-facing state of the glutamate transporter homologue GltPh in complex with L-aspartate and sodium ions
分子名称: ASPARTIC ACID, Glutamate transporter homologue GltPh, MERCURY (II) ION, ...
著者Wang, X, Boudker, O.
登録日2020-05-18
公開日2020-11-18
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Large domain movements through the lipid bilayer mediate substrate release and inhibition of glutamate transporters.
Elife, 9, 2020
6X13
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Inward-facing sodium-bound state of the glutamate transporter homologue GltPh
分子名称: Glutamate transporter homologue GltPh, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Wang, X, Boudker, O.
登録日2020-05-18
公開日2020-11-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Large domain movements through the lipid bilayer mediate substrate release and inhibition of glutamate transporters.
Elife, 9, 2020

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件を2024-05-29に公開中

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