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5ZGX
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BU of 5zgx by Molmil
Crystal structure of NDM-1 at pH7.5 (Succinate) with 1 molecule per asymmetric unit
分子名称: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
著者Zhang, H, Hao, Q.
登録日2018-03-10
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
8AUU
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BU of 8auu by Molmil
Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Hubert, L.-S, Heine, A, Klebe, G.
登録日2022-08-25
公開日2023-09-06
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Human Aldose Reductase Mutant A299G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
8AQG
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BU of 8aqg by Molmil
Structure of Human Aldose Reductase Mutant A299G/L300G with a Citrate Molecule Bound in the Anion Binding Pocket
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hubert, L.-S, Heine, A, Klebe, G.
登録日2022-08-12
公開日2023-08-23
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structure of Human Aldose Reductase Mutant A299/L300G with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
2YL0
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BU of 2yl0 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16A VARIANT AT 0.95 A RESOLUTION
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-05-30
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3F1L
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BU of 3f1l by Molmil
The 0.95 A structure of an oxidoreductase, yciK from E.coli
分子名称: Uncharacterized oxidoreductase yciK
著者Vijayalakshmi, J, Woodard, R.W.
登録日2008-10-28
公開日2008-11-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structure of an oxidoreductase, yciK from E. coli, in two crystal forms - NADP+ unbound structure at 0.95 A resolution
to be published
3RY2
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BU of 3ry2 by Molmil
Wild-type core streptavidin-biotin complex at atomic resolution
分子名称: BIOTIN, GLYCEROL, Streptavidin
著者Stenkamp, R.E, Le Trong, I, Stayton, P.S, Lybrand, T.P.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Streptavidin and its biotin complex at atomic resolution.
Acta Crystallogr.,Sect.D, 67, 2011
4LZT
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BU of 4lzt by Molmil
ATOMIC RESOLUTION REFINEMENT OF TRICLINIC HEW LYSOZYME AT 295K
分子名称: LYSOZYME, NITRATE ION
著者Walsh, M.A, Schneider, T, Sieker, L.C, Dauter, Z, Lamzin, V, Wilson, K.S.
登録日1997-03-31
公開日1998-04-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Refinement of triclinic hen egg-white lysozyme at atomic resolution.
Acta Crystallogr.,Sect.D, 54, 1998
5E9N
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BU of 5e9n by Molmil
Steccherinum murashkinskyi laccase at 0.95 resolution
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Polyakov, K.M, Glazunova, O.A, Fedorova, T.V, Koroleva, O.V.
登録日2015-10-15
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structure-function study of two new middle-redox potential laccases from basidiomycetes Antrodiella faginea and Steccherinum murashkinskyi.
Int. J. Biol. Macromol., 118, 2018
1N4U
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BU of 1n4u by Molmil
CHOLESTEROL OXIDASE FROM STREPTOMYCES @ pH 4.5 (STREPTOMYCES SP. SA-COO)
分子名称: Cholesterol oxidase, FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Vrielink, A, Lario, P.I.
登録日2002-11-01
公開日2004-04-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Atomic resolution crystallography reveals how changes in pH shape the protein microenvironment
Nat.Chem.Biol., 2, 2006
7G05
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BU of 7g05 by Molmil
Crystal Structure of human FABP4 in complex with 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
分子名称: 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FXF
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BU of 7fxf by Molmil
Crystal Structure of human FABP4 in complex with 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
分子名称: 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
2NX0
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BU of 2nx0 by Molmil
Ferrous nitrosyl blackfin tuna myoglobin
分子名称: Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Schreiter, E.R, Rodriguez, M.M, Weichsel, A, Montfort, W.R, Bonaventura, J.
登録日2006-11-16
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献S-nitrosylation-induced conformational change in blackfin tuna myoglobin.
J.Biol.Chem., 282, 2007
1MXT
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BU of 1mxt by Molmil
Atomic resolution structure of Cholesterol oxidase (Streptomyces sp. SA-COO)
分子名称: CHOLESTEROL OXIDASE, FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE, OXYGEN MOLECULE, ...
著者Vrielink, A, Lario, P.I.
登録日2002-10-03
公開日2003-02-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Sub-atomic resolution crystal structure of cholesterol oxidase: What atomic resolution crystallography reveals about enzyme mechanism and the role of FAD cofactor in redox activity
J.Mol.Biol., 326, 2003
2FLA
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BU of 2fla by Molmil
Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution
分子名称: GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ...
著者Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A.
登録日2006-01-05
公開日2006-12-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study.
To be Published
1LUG
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BU of 1lug by Molmil
Full Matrix Error Analysis of Carbonic Anhydrase
分子名称: (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, Carbonic Anhydrase II, GLYCEROL, ...
著者Merritt, E.A, Le Trong, I, Behnke, C.A.
登録日2002-05-22
公開日2003-09-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
3ODV
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BU of 3odv by Molmil
X-ray structure of kaliotoxin by racemic protein crystallography
分子名称: CITRIC ACID, Potassium channel toxin alpha-KTx 3.1, trifluoroacetic acid
著者Pentelute, B.L, Mandal, K, Gates, Z.P, Sawaya, M.R, Yeates, T.O, Kent, S.B.H.
登録日2010-08-11
公開日2010-10-20
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Total chemical synthesis and X-ray structure of kaliotoxin by racemic protein crystallography.
Chem.Commun.(Camb.), 46, 2010
1BRF
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BU of 1brf by Molmil
Rubredoxin (Wild Type) from Pyrococcus Furiosus
分子名称: FE (III) ION, PROTEIN (RUBREDOXIN)
著者Bau, R, Rees, D.C, Kurtz, D.M, Scott, R.A, Huang, H, Adams, M.W.W, Eidsness, M.K.
登録日1998-08-24
公開日1998-09-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structure of Rubredoxin from Pyrococcus Furiosus at 0.95 Angstroms Resolution, and the structures of N-terminal methionine and formylmethionine variants of Pf Rd. Contributions of N-terminal interactions to thermostability
J.BIOL.INORG.CHEM., 3, 1998
1BXO
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BU of 1bxo by Molmil
ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE
分子名称: GLYCEROL, METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE, PROTEIN (PENICILLOPEPSIN), ...
著者Khan, A.R, Parrish, J.C, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G.
登録日1998-10-07
公開日1998-10-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
4QIO
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BU of 4qio by Molmil
Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCGCCIA) at high resolution
分子名称: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*IP*A)-3', BARIUM ION, CHLORIDE ION, ...
著者Gurung, S.P, Hall, J.P, Cardin, C.J.
登録日2014-06-01
公開日2015-06-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Inosine Can Increase DNA's Susceptibility to Photo-oxidation by a Ru II Complex due to Structural Change in the Minor Groove.
Chemistry, 23, 2017
3DHA
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BU of 3dha by Molmil
An Ultral High Resolution Structure of N-Acyl Homoserine Lactone Hydrolase with the Product N-Hexanoyl-L-Homoserine Bound at An Alternative Site
分子名称: GLYCEROL, N-Acyl Homoserine Lactone Hydrolase, N-hexanoyl-L-homoserine, ...
著者Liu, D, Momb, J, Thomas, P.W, Moulin, A, Petsko, G.A, Fast, W, Ringe, D.
登録日2008-06-17
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 1. Product-bound structures.
Biochemistry, 47, 2008
1KTH
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BU of 1kth by Molmil
The Anisotropic Refinement Of Kunitz Type Domain C5 at 0.95 Angstrom
分子名称: Collagen alpha 3(VI) chain, PHOSPHATE ION
著者Arnoux, B, Ducruix, A, Prange, T.
登録日2002-01-16
公開日2002-02-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Anisotropic behaviour of the C-terminal Kunitz-type domain of the alpha3 chain of human type VI collagen at atomic resolution (0.9 A).
Acta Crystallogr.,Sect.D, 58, 2002
7FWK
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BU of 7fwk by Molmil
Crystal Structure of human FABP4 in complex with 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
分子名称: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
1MJ5
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BU of 1mj5 by Molmil
LINB (haloalkane dehalogenase) from sphingomonas paucimobilis UT26 at atomic resolution
分子名称: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION
著者Oakley, A.J, Damborsky, J, Wilce, M.C.
登録日2002-08-27
公開日2003-08-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues.
Biochemistry, 43, 2004
5RCV
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BU of 5rcv by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 17
分子名称: Endothiapepsin
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
7G1Y
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BU of 7g1y by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
分子名称: 2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Grenz-Achim, K, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published

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