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PDB: 403 件

5KQA
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BU of 5kqa by Molmil
Crystal structure of buckwheat glutaredoxin-glutathione complex
分子名称: GLUTATHIONE, Glutaredoxin-glutathione complex
著者Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
登録日2016-07-06
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
2VYA
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BU of 2vya by Molmil
Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750
分子名称: 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
著者Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C.
登録日2008-07-22
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
5UJV
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Crystal structure of FePYR1 in complex with abscisic acid
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, PYR1
著者Ren, Z, Wang, Z, Zhou, X.E, Hong, Y, Cao, M, Chan, Z, Liu, X, Shi, H, Xu, H.E, Zhu, J.-K.
登録日2017-01-19
公開日2017-11-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure determination and activity manipulation of the turfgrass ABA receptor FePYR1.
Sci Rep, 7, 2017
1TIO
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BU of 1tio by Molmil
HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE
分子名称: BENZAMIDINE, CALCIUM ION, CYCLOHEXANE, ...
著者Huang, Q, Zhu, G, Wang, Z, Tang, Q.
登録日1998-09-17
公開日1998-09-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
Biochim.Biophys.Acta, 1429, 1998
5UU5
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BU of 5uu5 by Molmil
Bacteriophage P22 mature virion capsid protein
分子名称: Major capsid protein
著者Hryc, C.F, Chen, D.-H, Afonine, P.V, Jakana, J, Wang, Z, Haase-Pettingell, C, Jiang, W, Adams, P.D, King, J.A, Schmid, M.F, Chiu, W.
登録日2017-02-16
公開日2017-03-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Accurate model annotation of a near-atomic resolution cryo-EM map.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8WIA
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BU of 8wia by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463S
分子名称: Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
8WII
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BU of 8wii by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with Obafluorin
分子名称: Threonine--tRNA ligase, ZINC ION, ~{N}-[(2~{R},3~{S})-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-oxetan-3-yl]-2,3-bis(oxidanyl)benzamide
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
8WIJ
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BU of 8wij by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant L489M in complex with Obafluorin
分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
8WIH
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BU of 8wih by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
8WIG
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BU of 8wig by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463S/Q484A
分子名称: Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
6PQP
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BU of 6pqp by Molmil
Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist BITC
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzylthioformamide, ...
著者Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y.
登録日2019-07-09
公開日2020-01-08
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel.
Neuron, 105, 2020
6PQQ
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BU of 6pqq by Molmil
Cryo-EM structure of human TRPA1 C621S mutant in the apo state
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily A member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y.
登録日2019-07-09
公開日2020-01-08
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel.
Neuron, 105, 2020
6PQO
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BU of 6pqo by Molmil
Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist JT010
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide, ...
著者Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y.
登録日2019-07-09
公開日2020-01-08
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel.
Neuron, 105, 2020
6Q04
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BU of 6q04 by Molmil
MERS-CoV S structure in complex with 5-N-acetyl neuraminic acid
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, FOLIC ACID, ...
著者Park, Y.J, Walls, A.C, Wang, Z, Sauer, M, Li, W, Tortorici, M.A, Bosch, B.J, DiMaio, F.D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-01
公開日2019-12-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
3EQP
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BU of 3eqp by Molmil
Crystal Structure of Ack1 with compound T95
分子名称: Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
著者Liu, J, Wang, Z, Walker, N.P.C.
登録日2008-10-01
公開日2008-12-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3EQR
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BU of 3eqr by Molmil
Crystal Structure of Ack1 with compound T74
分子名称: Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
著者Liu, J, Wang, Z, Walker, N.P.C.
登録日2008-10-01
公開日2008-12-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4IDT
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BU of 4idt by Molmil
Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28)
分子名称: 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14
著者Liu, J, Sudom, A, Wang, Z.
登録日2012-12-13
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4IDV
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BU of 4idv by Molmil
Crystal Structure of NIK with compound 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol (13V)
分子名称: 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol, Mitogen-activated protein kinase kinase kinase 14
著者Liu, J, Sudom, A, Wang, Z.
登録日2012-12-13
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
分子名称: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
著者Piper, D.E, Walker, N, Wang, Z.
登録日2014-06-20
公開日2014-08-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
6ITM
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BU of 6itm by Molmil
Crystal structure of FXR in complex with agonist XJ034
分子名称: 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1
著者Zhang, H, Wang, Z.
登録日2018-11-23
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.
J.Chem.Inf.Model., 60, 2020
1JXK
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BU of 1jxk by Molmil
Role of ethe mobile loop in the mehanism of human salivary amylase
分子名称: Alpha-amylase, salivary, CALCIUM ION, ...
著者Ramasubbu, N, Ragunath, C, Wang, Z.
登録日2001-09-07
公開日2001-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the role of a mobile loop in substrate binding and enzyme activity of human salivary amylase
J.Mol.Biol., 325, 2003
1JXJ
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BU of 1jxj by Molmil
Role of mobile loop in the mechanism of human salivary amylase
分子名称: Alpha-amylase, salivary, CALCIUM ION, ...
著者Ramasubbu, N, Ragunath, C, Wang, Z, Mishra, P.J, Thomas, L.M.
登録日2001-09-07
公開日2001-09-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity.
Eur.J.Biochem., 271, 2004
4CSU
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BU of 4csu by Molmil
Cryo-EM structures of the 50S ribosome subunit bound with ObgE
分子名称: 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L11, ...
著者Feng, B, Mandava, C.S, Guo, Q, Wang, J, Cao, W, Li, N, Zhang, Y, Zhang, Y, Wang, Z, Wu, J, Sanyal, S, Lei, J, Gao, N.
登録日2014-03-10
公開日2014-06-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Structural and Functional Insights Into the Mode of Action of a Universally Conserved Obg Gtpase.
Plos Biol., 12, 2014
1J55
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BU of 1j55 by Molmil
The Crystal Structure of Ca+-bound Human S100P Determined at 2.0A Resolution by X-ray
分子名称: CALCIUM ION, S-100P PROTEIN
著者Zhang, H, Wang, G, Ding, Y, Wang, Z, Barraclough, R, Rudland, P.S, Fernig, D.G, Rao, Z.
登録日2002-01-25
公開日2003-01-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure at 2A Resolution of the Ca2+-binding Protein S100P
J.Mol.Biol., 325, 2003
2YJY
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BU of 2yjy by Molmil
A specific and modular binding code for cytosine recognition in PUF domains
分子名称: 5'-R(*AP*UP*UP*GP*CP*AP*UP*AP*UP*AP)-3', PUMILIO HOMOLOG 1
著者Dong, S, Wang, Y, Cassidy-Amstutz, C, Lu, G, Qiu, C, Bigler, R, Jezyk, M, Li, C, Hall, T.M.T, Wang, Z.
登録日2011-05-24
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Specific and Modular Binding Code for Cytosine Recognition in Pumilio/Fbf (Puf) RNA-Binding Domains.
J.Biol.Chem., 286, 2011

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