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2ATO
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BU of 2ato by Molmil
Crystal structure of Human Cathepsin K in complex with myocrisin
分子名称: (S)-(1,2-DICARBOXYETHYLTHIO)GOLD, Cathepsin K, SULFATE ION
著者Weidauer, E, Yasuda, Y, Biswal, B.K, Kerr, L.D, Cherney, M.M, Gordon, R.E, James, M.N.G, Bromme, D.
登録日2005-08-25
公開日2006-08-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of disease-modifying anti-rheumatic drugs (DMARDs) on the activities of rheumatoid arthritis-associated cathepsins K and S.
Biol.Chem., 388, 2007
9J1V
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BU of 9j1v by Molmil
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with Monomethyl phthalate
分子名称: 1,2-ETHANEDIOL, 2-methoxycarbonylbenzoic acid, Alpha/beta hydrolase fold-3 domain-containing protein
著者Verma, S, Kumar, P.
登録日2024-08-05
公開日2024-12-25
最終更新日2025-02-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme.
Structure, 33, 2025
6LFS
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BU of 6lfs by Molmil
Poa1p H23A mutant in complex with ADP-ribose
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribose 1''-phosphate phosphatase
著者Chiu, Y.C, Hsu, C.H.
登録日2019-12-03
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Expanding the Substrate Specificity of Macro Domains toward 3''-Isomer of O-Acetyl-ADP-ribose
Acs Catalysis, 11, 2021
9J58
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BU of 9j58 by Molmil
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with jeffamine
分子名称: 1,2-ETHANEDIOL, Alpha/beta hydrolase fold-3 domain-containing protein, MALONIC ACID, ...
著者Verma, S, Kumar, P.
登録日2024-08-11
公開日2024-12-25
最終更新日2025-02-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme.
Structure, 33, 2025
3K8X
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BU of 3k8x by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with tepraloxydim
分子名称: (5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one, Acetyl-CoA carboxylase
著者Xiang, S, Callaghan, M.M, Watson, K.G, Tong, L.
登録日2009-10-15
公開日2009-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A different mechanism for the inhibition of the carboxyltransferase domain of acetyl-coenzyme A carboxylase by tepraloxydim.
Proc.Natl.Acad.Sci.USA, 106, 2009
4A6W
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BU of 4a6w by Molmil
X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes
分子名称: 5-(2-chlorophenyl)-N-hydroxy-1,3-oxazole-2-carboxamide, MANGANESE (II) ION, METHIONINE AMINOPEPTIDASE
著者Huguet, F, Melet, A, AlvesdeSousa, R, Lieutaud, A, Chevalier, J, Deschamps, P, Tomas, A, Leulliot, N, Pages, J.M, Artaud, I.
登録日2011-11-09
公開日2012-06-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Hydroxamic Acids as Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes.
Chemmedchem, 7, 2012
6U9N
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BU of 6u9n by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
6B3A
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BU of 6b3a by Molmil
AprA Methyltransferase 1 - GNAT didomain in complex with Mn2+ and SAM
分子名称: AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ...
著者Skiba, M.A, Smith, J.L.
登録日2017-09-21
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.784 Å)
主引用文献A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
2AXC
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BU of 2axc by Molmil
Crystal structure of ColE7 translocation domain
分子名称: Colicin E7, GLYCEROL, SULFATE ION
著者Cheng, Y.S, Shi, Z, Doudeva, L.G, Yang, W.Z, Chak, K.F, Yuan, H.S.
登録日2005-09-04
公開日2006-03-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-resolution crystal structure of a truncated ColE7 translocation domain: implications for colicin transport across membranes
J.Mol.Biol., 356, 2006
9J59
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BU of 9j59 by Molmil
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus
分子名称: 1,2-ETHANEDIOL, Alpha/beta hydrolase fold-3 domain-containing protein
著者Verma, S, Kumar, P.
登録日2024-08-11
公開日2024-12-25
最終更新日2025-02-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme.
Structure, 33, 2025
3BCD
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BU of 3bcd by Molmil
Alpha-amylase B in complex with maltotetraose and alpha-cyclodextrin
分子名称: Alpha amylase, catalytic region, CALCIUM ION, ...
著者Tan, T.-C, Mijts, B.N, Swaminathan, K, Patel, B.K.C, Divne, C.
登録日2007-11-12
公開日2008-04-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Polyextremophilic alpha-Amylase AmyB from Halothermothrix orenii: Details of a Productive Enzyme-Substrate Complex and an N Domain with a Role in Binding Raw Starch
J.Mol.Biol., 378, 2008
4A8E
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BU of 4a8e by Molmil
The structure of a dimeric Xer recombinase from archaea
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PROBABLE TYROSINE RECOMBINASE XERC-LIKE, ...
著者Brooks, M.A, ElArnaout, T, Duranda, D, Lisboa, J, Lazar, N, Raynal, B, vanTilbeurgh, H, Serre, M, Quevillon-Cheruel, S.
登録日2011-11-21
公開日2012-12-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The Carboxy-Terminal Alpha N Helix of the Archaeal Xera Tyrosine Recombinase is a Molecular Switch to Control Site-Specific Recombination.
Plos One, 8, 2013
9J5A
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BU of 9j5a by Molmil
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with p-nitrophenol
分子名称: 1,2-ETHANEDIOL, ACETYL GROUP, Alpha/beta hydrolase fold-3 domain-containing protein, ...
著者Verma, S, Kumar, P.
登録日2024-08-11
公開日2024-12-25
最終更新日2025-02-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme.
Structure, 33, 2025
9J1G
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BU of 9j1g by Molmil
ESTS1 phthalate ester degrading esterase from Sulfobacillus acidophilus in complex with phthalate
分子名称: 1,2-ETHANEDIOL, Alpha/beta hydrolase fold-3 domain-containing protein, PHTHALIC ACID
著者Verma, S, Kumar, P.
登録日2024-08-05
公開日2024-12-25
最終更新日2025-02-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme.
Structure, 33, 2025
2B4Y
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BU of 2b4y by Molmil
Crystal Structure of Human Sirtuin homolog 5
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-5, ...
著者Min, J.R, Antoshenko, T, Dong, A, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2005-09-27
公開日2006-02-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Human Sirtuin homolog 5 in complex with NAD
To be Published
4ABQ
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BU of 4abq by Molmil
CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-1
分子名称: 3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL, TRANSTHYRETIN
著者Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M.
登録日2011-12-10
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites.
Plos One, 7, 2012
7FCC
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BU of 7fcc by Molmil
IL-1RAcPb TIR domain
分子名称: Isoform 4 of Interleukin-1 receptor accessory protein
著者Wang, X, Zhou, J.
登録日2021-07-14
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
4REM
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BU of 4rem by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with delphinidin
分子名称: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium, GLYCEROL, UDP-glucose:anthocyanidin 3-O-glucosyltransferase
著者Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
登録日2014-09-23
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
7FAM
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BU of 7fam by Molmil
Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L97 and L-pro
分子名称: 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, PROLINE, Prolyl-tRNA synthetase (ProRS)
著者Mishra, S, Malhotra, N, Yogavel, M, Sharma, A.
登録日2021-07-06
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
2XNS
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BU of 2xns by Molmil
Crystal Structure Of Human G alpha i1 Bound To A Designed Helical Peptide Derived From The Goloco Motif Of RGS14
分子名称: GUANINE NUCLEOTIDE-BINDING PROTEIN G(I) SUBUNIT ALPHA-1, GUANOSINE-5'-DIPHOSPHATE, REGULATOR OF G-PROTEIN SIGNALING 14, ...
著者Bosch, D, Sammond, D.W, Butterfoss, G.L, Machius, M, Siderovski, D.P, Kuhlman, B.
登録日2010-08-05
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Computational Design of the Sequence and Structure of a Protein-Binding Peptide.
J.Am.Chem.Soc., 133, 2011
6L03
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BU of 6l03 by Molmil
structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex
分子名称: Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide
著者Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
登録日2019-09-25
公開日2020-09-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.084 Å)
主引用文献PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
7FD3
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BU of 7fd3 by Molmil
IL-1RAPL2 TIR domain
分子名称: X-linked interleukin-1 receptor accessory protein-like 2
著者Wang, X, Zhou, J.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
7Z3W
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BU of 7z3w by Molmil
Crystal structure of the AAL160 Fab
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AAL160 Fab heavy-chain, AAL160 Fab light-chain
著者Rondeau, J.M, Lehmann, S.
登録日2022-03-02
公開日2023-02-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献"Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
6KYL
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BU of 6kyl by Molmil
Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 in Complex with (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, Mitochondrial distribution and morphology protein 35, Protein UPS1, ...
著者Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F.
登録日2019-09-19
公開日2019-10-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Molecular mechanism of mitochondrial phosphatidate transfer by Ups1.
Commun Biol, 3, 2020
4REL
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BU of 4rel by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with kaempferol
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, ACETATE ION, GLYCEROL, ...
著者Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
登録日2014-09-23
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015

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