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4D5M
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BU of 4d5m by Molmil
Gonadotropin-releasing hormone agonist
分子名称: PHOSPHATE ION, TRIPTORELIN
著者Legrand, P, Le Du, M.-H, Valery, C, Deville-Foillard, S, Paternostre, M, Artzner, F.
登録日2014-11-05
公開日2015-08-12
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Atomic View of the Histidine Environment Stabilizing Higher- Ph Conformations of Ph-Dependent Proteins.
Nat.Commun., 6, 2015
1PJX
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BU of 1pjx by Molmil
0.85 ANGSTROM STRUCTURE OF SQUID GANGLION DFPASE
分子名称: 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, ...
著者Koepke, J, Rueterjans, H, Luecke, C, Fritzsch, G.
登録日2003-06-04
公開日2004-06-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0.85 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
4I8K
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Bovine trypsin at 0.85 resolution
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A.
登録日2012-12-03
公開日2012-12-19
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
4LAZ
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BU of 4laz by Molmil
Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
1X8Q
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BU of 1x8q by Molmil
0.85 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus in Complex with Water at pH 5.6
分子名称: Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE
著者Kondrashov, D.A, Roberts, S.A, Weichsel, A, Montfort, W.R.
登録日2004-08-18
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Protein functional cycle viewed at atomic resolution: conformational change and mobility in nitrophorin 4 as a function of pH and NO binding
Biochemistry, 43, 2004
6ETL
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BU of 6etl by Molmil
Atomic resolution structure of RNase A (data collection 2)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
7AOT
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BU of 7aot by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
分子名称: (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
登録日2020-10-15
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
6ETK
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Atomic resolution structure of RNase A (data collection 1)
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Caterino, M, Vergara, A, Merlino, A.
登録日2017-10-27
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Raman-markers of X-ray radiation damage of proteins.
Int. J. Biol. Macromol., 111, 2018
6UCX
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BU of 6ucx by Molmil
S2 symmetric peptide design number 1, Wednesday
分子名称: S2-1, Wednesday, trifluoroacetic acid
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-18
公開日2020-09-23
最終更新日2021-07-28
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
1X8P
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BU of 1x8p by Molmil
0.85 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Complexed With Ammonia at pH 7.4
分子名称: AMMONIA, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE
著者Kondrashov, D.A, Roberts, S.A, Weichsel, A, Montfort, W.R.
登録日2004-08-18
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Protein functional cycle viewed at atomic resolution: conformational change and mobility in nitrophorin 4 as a function of pH and NO binding
Biochemistry, 43, 2004
4XXG
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BU of 4xxg by Molmil
Structure of protonated Cholesterol Oxidase from Streptomyces SA-COO
分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Golden, E, Vrielink, A.
登録日2015-01-30
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Production and characterization of recombinant perdeuterated cholesterol oxidase.
Anal.Biochem., 485, 2015
6UN0
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BU of 6un0 by Molmil
Crystal structure of photoactive yellow protein (PYP); F96(4-IF) construct with 3-Br-p-coumaric acid chromophore
分子名称: (2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein
著者Lin, C.-Y, Romei, M.G, Boxer, S.G.
登録日2019-10-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms.
J Photochem Photobiol A Chem, 401, 2020
7UCP
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computationally designed macrocycle
分子名称: computationally designed cyclic peptide D8.3.p2
著者Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
登録日2022-03-17
公開日2022-09-14
最終更新日2022-09-28
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
6Q00
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BU of 6q00 by Molmil
TDP2 UBA Domain Bound to Ubiquitin at 0.85 Angstroms Resolution, Crystal Form 1
分子名称: POTASSIUM ION, Tyrosyl-DNA phosphodiesterase 2, Ubiquitin
著者Schellenberg, M.J, Krahn, J.M, Williams, R.S.
登録日2019-08-01
公開日2020-04-29
最終更新日2020-06-24
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Ubiquitin stimulated reversal of topoisomerase 2 DNA-protein crosslinks by TDP2.
Nucleic Acids Res., 48, 2020
6JGI
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BU of 6jgi by Molmil
Crystal structure of the S65T/F99S/M153T/V163A variant of GFP at 0.85 A
分子名称: Green fluorescent protein
著者Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K.
登録日2019-02-14
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Subatomic resolution X-ray structures of green fluorescent protein.
Iucrj, 6, 2019
5YOK
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BU of 5yok by Molmil
Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657
分子名称: (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE
著者Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y.
登録日2017-10-29
公開日2018-07-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
3QPA
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BU of 3qpa by Molmil
Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
分子名称: Cutinase
著者Lu, A, Gosser, Y, Montclare, J.K, Liu, Z, Kong, X.
登録日2011-02-11
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Structure of Fusarium Solani Cutinase expressed in Pichia pastoris
To be Published
7BBX
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BU of 7bbx by Molmil
Neisseria gonorrhoeae transaldolase, variant K8A
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase
著者Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K.
登録日2020-12-18
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
5XVT
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Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal 2
分子名称: 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-28
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
3PYP
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BU of 3pyp by Molmil
PHOTOACTIVE YELLOW PROTEIN, CRYOTRAPPED EARLY LIGHT CYCLE INTERMEDIATE
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Genick, U.K, Soltis, S.M, Kuhn, P, Canestrelli, I.L, Getzoff, E.D.
登録日1998-07-28
公開日1999-06-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Structure at 0.85 A resolution of an early protein photocycle intermediate.
Nature, 392, 1998
4PSY
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BU of 4psy by Molmil
100K crystal structure of Escherichia coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A.
登録日2014-03-08
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
5JQF
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BU of 5jqf by Molmil
Crystal structure of the lasso peptide Sphingopyxin I (SpI)
分子名称: Sphingopyxin I
著者Fage, C.D, Hegemann, J.D, Harms, K, Bange, G, Marahiel, M.A.
登録日2016-05-04
公開日2016-09-14
最終更新日2021-06-16
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew. Chem. Int. Ed. Engl., 55, 2016
2PFH
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BU of 2pfh by Molmil
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594.
分子名称: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ...
著者Petrova, T, Hazemann, I, Cousido, A, Mitschler, A, Ginell, S, Joachimiak, A, Podjarny, A.
登録日2007-04-05
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Crystal packing modifies ligand binding affinity: The case of aldose reductase.
Proteins, 80, 2012
4IGS
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BU of 4igs by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064
分子名称: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
登録日2012-12-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
7WCI
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BU of 7wci by Molmil
The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Kakinouchi, K, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid
To Be Published

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件を2024-07-10に公開中

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