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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
6Q06
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BU of 6q06 by Molmil
MERS-CoV S structure in complex with 2,3-sialyl-N-acetyl-lactosamine
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 (2.7 Å)
主引用文献Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6Q05
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BU of 6q05 by Molmil
MERS-CoV S structure in complex with sialyl-lewisX
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 (2.8 Å)
主引用文献Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6Q07
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BU of 6q07 by Molmil
MERS-CoV S structure in complex with 2,6-sialyl-N-acetyl-lactosamine
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 (2.9 Å)
主引用文献Structures of MERS-CoV spike glycoprotein in complex with sialoside attachment receptors.
Nat.Struct.Mol.Biol., 26, 2019
6O6B
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BU of 6o6b by Molmil
Rotavirus A-VP3 (RVA-VP3)
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Protein VP3
著者Kumar, D, Yu, X, Prasad, V, Wang, Z.
登録日2019-03-05
公開日2020-03-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A sub-atomic resolution cryo-EM of full-length Rotavirus A-VP3 (RVA-VP3)
To Be Published
6O3Z
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BU of 6o3z by Molmil
Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1)
分子名称: 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant
著者Min, X, Wang, Z.
登録日2019-02-27
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
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
1SEK
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BU of 1sek by Molmil
THE STRUCTURE OF ACTIVE SERPIN K FROM MANDUCA SEXTA AND A MODEL FOR SERPIN-PROTEASE COMPLEX FORMATION
分子名称: SERPIN K
著者Li, J, Wang, Z, Canagarajah, B, Jiang, H, Kanost, M, Goldsmith, E.J.
登録日1998-03-06
公開日1999-03-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of active serpin 1K from Manduca sexta.
Structure Fold.Des., 7, 1999
5GTX
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BU of 5gtx by Molmil
Crystal structure of mutated buckwheat glutaredoxin
分子名称: buckwheat glutaredoxin
著者Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
登録日2016-08-23
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.28 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
5UD7
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BU of 5ud7 by Molmil
Crystal Structure of Wild-Type Ig-like Domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, SULFATE ION, ...
著者Sudom, A, Min, X, Wang, Z.
登録日2016-12-23
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.20002246 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
5UD8
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BU of 5ud8 by Molmil
Crystal Structure of Mutant Ig-like Domain
分子名称: Triggering receptor expressed on myeloid cells 2
著者Sudom, A, Min, X, Wang, Z.
登録日2016-12-23
公開日2018-04-04
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
4EWH
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BU of 4ewh by Molmil
Co-crystal structure of ACK1 with inhibitor
分子名称: 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Activated CDC42 kinase 1
著者Liu, J, Walker, N, Wang, Z.
登録日2012-04-27
公開日2012-09-19
最終更新日2012-10-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ERD
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BU of 4erd by Molmil
Crystal structure of the C-terminal domain of Tetrahymena telomerase protein p65 in complex with stem IV of telomerase RNA
分子名称: 5'-R(P*GP*GP*UP*CP*GP*AP*CP*AP*UP*CP*UP*UP*CP*GP*GP*AP*UP*GP*GP*AP*CP*C)-3', POTASSIUM ION, Telomerase associated protein p65
著者Singh, M, Wang, Z, Koo, B.-K, Patel, A, Cascio, D, Collins, K, Feigon, J.
登録日2012-04-19
公開日2012-06-20
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.589 Å)
主引用文献Structural Basis for Telomerase RNA Recognition and RNP Assembly by the Holoenzyme La Family Protein p65.
Mol.Cell, 47, 2012
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
4DOU
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BU of 4dou by Molmil
Crystal Structure of a Single-chain Trimer of Human Adiponectin Globular Domain
分子名称: 1,2-ETHANEDIOL, Adiponectin, CALCIUM ION, ...
著者Min, X, Walker, N.P, Wang, Z.
登録日2012-02-10
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a single-chain trimer of human adiponectin globular domain.
Febs Lett., 586, 2012
9EWX
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BU of 9ewx by Molmil
Cryo-EM structure of the Pseudomonas aeruginosa PAO1 Type IV pilus
分子名称: Pilin
著者Ochner, H, Boehning, J, Wang, Z, Tarafder, A, Caspy, I, Bharat, T.A.M.
登録日2024-04-05
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Structure of the Pseudomonas aeruginosa PAO1 Type-IV pilus
To Be Published
4LTS
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BU of 4lts by Molmil
Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ...
著者Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W.
登録日2013-07-23
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4LWW
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BU of 4lww by Molmil
Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W.
登録日2013-07-28
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
1M7Q
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BU of 1m7q by Molmil
Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor
分子名称: 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION
著者Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B.
登録日2002-07-22
公開日2002-12-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 13, 2003
6LJG
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BU of 6ljg by Molmil
Crassostrea gigas ferritin mutant-D119G
分子名称: FE (III) ION, Ferritin
著者Li, H, Zang, J, Tan, X, Wang, Z, Du, M.
登録日2019-12-15
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crassostrea gigas ferritin mutant-D119G
To Be Published
6LIJ
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BU of 6lij by Molmil
Crassostrea gigas ferritin
分子名称: Ferritin, MAGNESIUM ION
著者Li, H, Zang, J, Tan, X, Wang, Z, Du, M.
登録日2019-12-11
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crassostrea gigas ferritin
To Be Published
5UJV
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BU of 5ujv by Molmil
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
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

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