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7TLG
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BU of 7tlg by Molmil
Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S)
分子名称: (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ziyang, Z, Guiley, K.Z, Shokat, K.M.
登録日2022-01-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.80000722 Å)
主引用文献Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
1DRY
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BU of 1dry by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE
分子名称: 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ...
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
1DS1
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BU of 1ds1 by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE
分子名称: 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ...
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
1DRT
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BU of 1drt by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND PROCLAVAMINIC ACID
分子名称: 2-OXOGLUTARIC ACID, 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID, CLAVAMINATE SYNTHASE 1, ...
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
1DS0
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BU of 1ds0 by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE
分子名称: ACETATE ION, CLAVAMINATE SYNTHASE 1, SULFATE ION
著者Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
登録日2000-01-06
公開日2000-07-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
5LUA
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BU of 5lua by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11b
分子名称: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LUB
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BU of 5lub by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11
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, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
分子名称: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
著者Li, W, Feng, W.
登録日2019-07-31
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
4LWV
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BU of 4lwv by Molmil
The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353
分子名称: (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Graves, B.J, Lukacs, C, Janson, C.A.
登録日2013-07-28
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development.
ACS MED.CHEM.LETT., 5, 2014
4LWU
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BU of 4lwu by Molmil
The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252
分子名称: (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Graves, B.J, Lukacs, C, Janson, C.A.
登録日2013-07-28
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
4LWT
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BU of 4lwt by Molmil
The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344
分子名称: (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Graves, B.J, Lukacs, C, Kammlott, U.
登録日2013-07-28
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
6IWK
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BU of 6iwk by Molmil
The Structure of Maltooligosaccharide-forming Amylase from Pseudomonas saccharophila STB07
分子名称: CALCIUM ION, GLYCEROL, Glucan 1,4-alpha-maltotetraohydrolase
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2018-12-05
公開日2019-12-11
最終更新日2021-03-31
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
6JQB
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BU of 6jqb by Molmil
The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose
分子名称: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2019-03-30
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
5H4I
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BU of 5h4i by Molmil
Unlinked NS2B-NS3 Protease from Zika Virus in complex with a compound fragment
分子名称: ACETATE ION, NS2B cofactor, NS3 protease, ...
著者Zhang, Z.Z, Li, Y.
登録日2016-10-31
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
5GPI
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BU of 5gpi by Molmil
Crystal Structures of Unlinked NS2B-NS3 Protease from Zika Virus and Its Complex with a Reverse Peptide Inhibitor
分子名称: NS2B cofactor, NS3 protease
著者Phoo, W.W, Zhang, Z.Z.
登録日2016-08-02
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.578 Å)
主引用文献Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
5V5F
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BU of 5v5f by Molmil
Crystal structure of RICE1 (PNT2)
分子名称: At3g11770
著者Li, P.
登録日2017-03-14
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.945 Å)
主引用文献RISC-interacting clearing 3'- 5' exoribonucleases (RICEs) degrade uridylated cleavage fragments to maintain functional RISC in Arabidopsis thaliana.
Elife, 6, 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
2JX0
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BU of 2jx0 by Molmil
The paxillin-binding domain (PBD) of G Protein Coupled Receptor (GPCR)-kinase (GRK) interacting protein 1 (GIT1)
分子名称: ARF GTPase-activating protein GIT1
著者Zhang, Z, Guibao, C.D, Simmerman, J.A, Zheng, J.
登録日2007-11-01
公開日2008-04-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献GIT1 paxillin-binding domain is a four-helix bundle, and it binds to both paxillin LD2 and LD4 motifs.
J.Biol.Chem., 283, 2008
4Z4P
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BU of 4z4p by Molmil
Structure of the MLL4 SET Domain
分子名称: Histone-lysine N-methyltransferase 2D, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Zhang, Z, Mittal, A, Reid, J, Reich, S, Gamblin, S.J, Wilson, J.R.
登録日2015-04-02
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolving Catalytic Properties of the MLL Family SET Domain.
Structure, 23, 2015
4ZT2
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BU of 4zt2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT3
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BU of 4zt3 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT7
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BU of 4zt7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT5
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BU of 4zt5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655)
分子名称: (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016

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