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5XST
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BU of 5xst by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
6J9L
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BU of 6j9l by Molmil
FnoBH+AcrIIC2
分子名称: AcrIIC2, HNH endonuclease family protein
著者Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
登録日2019-01-23
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
5XSR
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BU of 5xsr by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
6J9N
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BU of 6j9n by Molmil
NmeHNH+AcrIIC3
分子名称: AcrIIC3, CRISPR-associated endonuclease Cas9
著者Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
登録日2019-01-23
公開日2019-03-06
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
7WSB
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BU of 7wsb by Molmil
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
分子名称: 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
著者Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P.
登録日2022-01-28
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022
5GW8
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BU of 5gw8 by Molmil
Crystal structure of a putative DAG-like lipase (MgMDL2) from Malassezia globosa
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, ACETIC ACID, ...
著者Xu, J, Xu, H, Liu, J.
登録日2016-09-09
公開日2017-09-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Malassezia globosa MgMDL2 lipase: Crystal structure and rational modification of substrate specificity.
Biochem. Biophys. Res. Commun., 488, 2017
8JV7
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BU of 8jv7 by Molmil
Cryo-EM structure of the panda P2X7 receptor in complex with PPADS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid, P2X purinoceptor
著者Sheng, D, Hattori, M.
登録日2023-06-27
公開日2023-11-29
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into the orthosteric inhibition of P2X receptors by non-ATP analog antagonists.
Elife, 12, 2024
8JV8
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BU of 8jv8 by Molmil
Cryo-EM structure of the panda P2X7 receptor in complex with PPNDS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, P2X purinoceptor
著者Sheng, D, Hattori, M.
登録日2023-06-27
公開日2023-11-29
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural insights into the orthosteric inhibition of P2X receptors by non-ATP analog antagonists.
Elife, 12, 2024
3UUF
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BU of 3uuf by Molmil
Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ...
著者Xu, T, Xu, J, Hou, S, Liu, J.
登録日2011-11-28
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
3UUE
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BU of 3uue by Molmil
Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
分子名称: CHLORIDE ION, GLYCEROL, LIP1, ...
著者Xu, T, Xu, J, Hou, S, Liu, J.
登録日2011-11-28
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
5X04
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BU of 5x04 by Molmil
12:0-ACP thioesterase from Umbellularia californica
分子名称: Dodecanoyl-[acyl-carrier-protein] hydrolase, chloroplastic
著者Xue, S, Feng, Y.
登録日2017-01-19
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural Insight into Acyl-ACP Thioesterase toward Substrate Specificity Design.
ACS Chem. Biol., 12, 2017
6LR7
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BU of 6lr7 by Molmil
Crystal structure of GFPuv complexed with the nanobody LaG16 at 1.67 Angstron resolution
分子名称: Green fluorescent protein, Nanobody LaG16
著者Zhang, Z.Y, Ding, Y, Hattori, M.
登録日2020-01-15
公開日2020-04-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-based engineering of anti-GFP nanobody tandems as ultra-high-affinity reagents for purification.
Sci Rep, 10, 2020
2LK3
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BU of 2lk3 by Molmil
U2/U6 Helix I
分子名称: RNA (5'-R(*GP*GP*CP*UP*UP*AP*GP*AP*UP*CP*AP*GP*AP*AP*AP*UP*GP*AP*UP*CP*AP*GP*CP*C)-3')
著者Burke, J.E, Sashital, D.G, Zuo, X.E, Wang, Y, Butcher, S.E.
登録日2011-10-03
公開日2012-02-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012
2LKR
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BU of 2lkr by Molmil
Yeast U2/U6 complex
分子名称: RNA (111-MER)
著者Burke, J.E, Sashital, D.G, Zuo, X, Wang, Y, Butcher, S.E.
登録日2011-10-19
公開日2012-02-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012
6KEY
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BU of 6key by Molmil
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
分子名称: Nitric oxide synthase, inducible, SPRY domain-containing SOCS box protein 2
著者Li, K, Kuang, Z.
登録日2019-07-05
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural basis for the regulation of inducible nitric oxide synthase by the SPRY domain-containing SOCS box protein SPSB2, an E3 ubiquitin ligase.
Nitric Oxide, 113-114, 2021
6KPC
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BU of 6kpc by Molmil
Crystal structure of an agonist bound GPCR
分子名称: 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2,Endolysin
著者Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Wu, M, Liu, Z.J.
登録日2019-08-15
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
5XRG
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BU of 5xrg by Molmil
Galectin-10/Charcot-Leyden crystal protein crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XRK
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BU of 5xrk by Molmil
Galectin-10/Charcot-Leyden crystal protein variant C57A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
分子名称: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
著者You, T, Kuang, Z.
登録日2017-05-17
公開日2017-06-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
6L5M
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BU of 6l5m by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Nucleolar RNA helicase 2
著者Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
登録日2019-10-24
公開日2020-06-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
4HIQ
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BU of 4hiq by Molmil
The Structure of V122I Mutant Transthyretin in Complex with AG10
分子名称: 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin
著者Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
登録日2012-10-11
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
5XRP
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Galectin-10/Charcot-Leyden crystal protein variant Q75A
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
4HIS
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BU of 4his by Molmil
The Structure of V122I Mutant Transthyretin in Complex with Tafamidis
分子名称: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
著者Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
登録日2012-10-11
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
5XRO
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BU of 5xro by Molmil
Galectin-10/Charcot-Leyden crystal protein variant Q74A crystal structure
分子名称: GLYCEROL, Galectin-10
著者Su, J.
登録日2017-06-08
公開日2018-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018

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