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3PJI
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BU of 3pji by Molmil
Crystal structure of AgamOBP22a at 1.7 angstrom in the open status for ligand binding.
分子名称: AMMONIUM ION, Odorant binding protein (AGAP010409-PA)
著者Zhang, S, Ren, H.
登録日2010-11-10
公開日2012-01-11
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Crystal Structures of Anopheles gambiae Odorant-binding Protein AgamOBP22a and Complexes with Bound Odorants
To be Published
6YEB
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BU of 6yeb by Molmil
E.coli's Putrescine receptor PotF in its closed apo state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Shanmugaratnam, S, Kroeger, P, Hocker, B.
登録日2020-03-24
公開日2021-01-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
6YE7
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BU of 6ye7 by Molmil
E.coli's Putrescine receptor PotF complexed with Cadaverine
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ...
著者Shanmugaratnam, S, Kroeger, P, Hocker, B.
登録日2020-03-24
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
7Q1R
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BU of 7q1r by Molmil
A de novo designed homo-dimeric antiparallel coiled coil apCC-Di
分子名称: ETHANOL, SODIUM ION, apCC-Di
著者Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
登録日2021-10-20
公開日2022-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
7Q1S
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BU of 7q1s by Molmil
A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB_var
分子名称: 1,2-ETHANEDIOL, apCC-Di-A_var, apCC-Di-B_var
著者Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
登録日2021-10-20
公開日2022-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
7Q1T
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BU of 7q1t by Molmil
A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB
分子名称: N-PROPANOL, SULFATE ION, apCC-Di-A, ...
著者Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
登録日2021-10-20
公開日2022-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
7Q1Q
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BU of 7q1q by Molmil
De novo designed homo-dimeric antiparallel helices Homomer-S
分子名称: ACETATE ION, Homomer-S
著者Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
登録日2021-10-20
公開日2022-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
6YE0
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BU of 6ye0 by Molmil
E.coli's Putrescine receptor PotF complexed with Putrescine
分子名称: (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ...
著者Shanmugaratnam, S, Kroeger, P, Hocker, B.
登録日2020-03-23
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
6YEC
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BU of 6yec by Molmil
E.coli's Putrescine receptor PotF complexed with Spermine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Shanmugaratnam, S, Kroeger, P, Hocker, B.
登録日2020-03-24
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
8EXX
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BU of 8exx by Molmil
Herpes simplex virus 1 polymerase holoenzyme bound to DNA and foscarnet (pre-translocation state)
分子名称: DNA polymerase, DNA polymerase processivity factor, MAGNESIUM ION, ...
著者Pan, J, Abraham, J, Coen, D.M, Shankar, S, Yang, P, Hogle, J.
登録日2022-10-26
公開日2024-09-04
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance.
Cell, 187, 2024
7A8S
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BU of 7a8s by Molmil
de novo designed ba8-barrel sTIM11 with an alpha-helical extension
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, sTIM11_h3
著者Shanmugaratnam, S, Wiese, J.G, Hocker, B.
登録日2020-08-31
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Extension of a de novo TIM barrel with a rationally designed secondary structure element.
Protein Sci., 30, 2021
4X7R
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BU of 4x7r by Molmil
Crystal structure of S. aureus TarM G117R mutant in complex with Fondaparinux, alpha-GlcNAc-glycerol and UDP
分子名称: (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, TarM, ...
著者Worrall, L.J, Sobhanifar, S, Strynadka, N.C.
登録日2014-12-09
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and mechanism of Staphylococcus aureus TarM, the wall teichoic acid alpha-glycosyltransferase.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DLB
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BU of 5dlb by Molmil
Crystal structure of chaperone EspG3 of ESX-3 type VII secretion system from Mycobacterium marinum M
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, PLATINUM (II) ION, ...
著者Chan, S, Arbing, M.A, Kim, J, Kahng, S, Sawaya, M.R, Eisenberg, D.S, TB Structural Genomics Consortium (TBSGC)
登録日2015-09-04
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019
4GE5
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BU of 4ge5 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 5
分子名称: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide, Tyrosine-protein phosphatase non-receptor type 9
著者Zhang, Z.-Y, Liu, S, Zhang, S.
登録日2012-08-01
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
1FN0
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BU of 1fn0 by Molmil
STRUCTURE OF A MUTANT WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN, N14D.
分子名称: CHYMOTRYPSIN INHIBITOR 3, SULFATE ION
著者Dattagupta, J.K, Chakrabarti, C, Ravichandran, S, Dasgupta, J, Ghosh, S.
登録日2000-08-19
公開日2001-02-19
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp.
PROTEIN ENG., 14, 2001
5YJF
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BU of 5yjf by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
分子名称: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
登録日2017-10-10
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
4GE6
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BU of 4ge6 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 7
分子名称: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide, Tyrosine-protein phosphatase non-receptor type 9
著者Zhang, Z.-Y, Liu, S, Zhang, S.
登録日2012-08-01
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
8J67
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BU of 8j67 by Molmil
Crystal structure of Toxoplasma gondii M2AP
分子名称: MIC2-associated protein
著者Wang, F.F, Zhang, D.J, Zhang, S, Springer, T.A, Song, G.J.
登録日2023-04-24
公開日2023-08-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural insights into MIC2 recognition by MIC2-associated protein in Toxoplasma gondii.
Commun Biol, 6, 2023
1I4X
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BU of 1i4x by Molmil
STAPHYLOCOCCAL ENTEROTOXIN C2, MONOCLINIC FORM CRYSTALLIZED AT PH 8.0
分子名称: ENTEROTOXIN TYPE C-2, ZINC ION
著者Swaminathan, S, Sax, M.
登録日2001-02-23
公開日2001-03-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of staphylococcal enterotoxin C2 at various pH levels.
Acta Crystallogr.,Sect.D, 57, 2001
4GE2
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BU of 4ge2 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 3
分子名称: N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide, Tyrosine-protein phosphatase non-receptor type 9
著者Zhang, Z.-Y, Liu, S, Zhang, S.
登録日2012-08-01
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
1EYL
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BU of 1eyl by Molmil
STRUCTURE OF A RECOMBINANT WINGED BEAN CHYMOTRYPSIN INHIBITOR
分子名称: CHYMOTRYPSIN INHIBITOR, SULFATE ION
著者Dattagupta, J.K, Chakrabarti, C, Ravichandran, S, Ghosh, S.
登録日2000-05-07
公開日2000-05-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp.
Protein Eng., 14, 2001
5XVQ
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BU of 5xvq by Molmil
Crystal structure of monkey Nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl Nicotinamide (MNA)
分子名称: 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase (NNMT), ...
著者Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R.
登録日2017-06-28
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of monkey and mouse nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl nicotinamide
Biochem. Biophys. Res. Commun., 491, 2017
1FMZ
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BU of 1fmz by Molmil
CRYSTAL STRUCTURE OF A MUTANT WINGED BEAN CHYMOTRYPSIN INHIBITOR PROTEIN, N14K.
分子名称: CHYMOTRYPSIN INHIBITOR 3, SULFATE ION
著者Dattagupta, J.K, Chakrabarti, C, Ravichandran, S, Dasgupta, J, Ghosh, S.
登録日2000-08-19
公開日2001-02-19
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp.
PROTEIN ENG., 14, 2001
4LF2
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BU of 4lf2 by Molmil
Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with sulfate and magnesium
分子名称: CARBONATE ION, MAGNESIUM ION, Ribulose bisphosphate carboxylase, ...
著者Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J.
登録日2013-06-26
公開日2014-06-25
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
4LF1
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Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with 2-CABP
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J.
登録日2013-06-26
公開日2014-06-25
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014

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