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5MOR
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BU of 5mor by Molmil
Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
分子名称: (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-14
公開日2018-02-28
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION
主引用文献Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
to be published
6TN1
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BU of 6tn1 by Molmil
Unliganded Crystal Structure of Recombinant GBA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ...
著者Rowland, R.J, Davies, G.J.
登録日2019-12-05
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
4HVU
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BU of 4hvu by Molmil
Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
分子名称: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
著者Camara-Artigas, A.
登録日2012-11-07
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
4HVW
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BU of 4hvw by Molmil
Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12
分子名称: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
著者Camara-Artigas, A.
登録日2012-11-07
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
3GGI
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BU of 3ggi by Molmil
Locating monovalent cations in one turn of G/C rich B-DNA
分子名称: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G) -3', MAGNESIUM ION, THALLIUM (I) ION
著者Maehigashi, T, Moulaei, T, Watkins, D, Komeda, S, Williams, L.D.
登録日2009-02-28
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Locating monovalent cations in one turn of G/C rich B-DNA
To be Published
3AZD
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BU of 3azd by Molmil
Crystal structure of tropomyosin N-terminal fragment at 0.98A resolution
分子名称: short alpha-tropomyosin,transcription factor GCN4
著者Meshcheryakov, V.A, Krieger, I, Kostyukova, A.S, Samatey, F.A.
登録日2011-05-23
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure of a tropomyosin N-terminal fragment at 0.98 A resolution
Acta Crystallogr.,Sect.D, 67, 2011
7V2G
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BU of 7v2g by Molmil
The 0.98 angstrom structure of the human FABP3 Y19F mutant complexed with palmitic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
登録日2021-08-09
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献The 0.98 angstrom structure of the human FABP3 Y19F mutant complexed with palmitic acid
To Be Published
1TQG
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BU of 1tqg by Molmil
CheA phosphotransferase domain from Thermotoga maritima
分子名称: Chemotaxis protein cheA
著者Quezada, C.M, Gradinaru, C, Simon, M.I, Bilwes, A.M, Crane, B.R.
登録日2004-06-17
公開日2004-09-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Helical Shifts Generate Two Distinct Conformers in the Atomic Resolution Structure of the CheA Phosphotransferase Domain from Thermotoga maritima.
J.Mol.Biol., 341, 2004
1K4I
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BU of 1k4i by Molmil
Crystal Structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase in complex with two Magnesium ions
分子名称: 3,4-Dihydroxy-2-Butanone 4-Phosphate Synthase, MAGNESIUM ION, SULFATE ION
著者Liao, D.-I, Zheng, Y.-J, Viitanen, P.V, Jordan, D.B.
登録日2001-10-08
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structural definition of the active site and catalytic mechanism of 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Biochemistry, 41, 2002
2PNE
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BU of 2pne by Molmil
Crystal Structure of the Snow Flea Antifreeze Protein
分子名称: 6.5 kDa glycine-rich antifreeze protein
著者Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M.
登録日2007-04-24
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
6Q4G
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BU of 6q4g by Molmil
CDK2 in complex with FragLite37
分子名称: 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
5CE4
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BU of 5ce4 by Molmil
High Resolution X-Ray and Neutron diffraction structure of H-FABP
分子名称: Fatty acid-binding protein, heart, OLEIC ACID
著者Podjarny, A.D, Howard, E.I, Blakeley, M.P, Guillot, B.
登録日2015-07-06
公開日2016-03-09
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION
主引用文献High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP-oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution.
Iucrj, 3, 2016
6Z7I
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BU of 6z7i by Molmil
Crystal structure of CTX-M-15 E166Q mutant apoenzyme
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-05-31
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
3C78
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BU of 3c78 by Molmil
0.98 A crystal structure of nitrophorin 4 from Rhodnius prolixus containing FE(III) 2,4 dimethyl deuteroporphyrin ix complexed with ammonia at ph 7.5
分子名称: AMMONIA, FE(III) 2,4-DIMETHYL DEUTEROPORPHYRIN IX, Nitrophorin-4
著者Amoia, A.M, Montfort, W.R.
登録日2008-02-06
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Heme Distortion in Nitrophorin 4: High Resolution Structures of Mutated Positions L123V and L133V and Heme Altered Proteins
To be Published
4YEO
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BU of 4yeo by Molmil
Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ...
著者Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2015-02-24
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
7OYN
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BU of 7oyn by Molmil
Carbonic anhydrase II in complex with Hit3 (MH57)
分子名称: Carbonic anhydrase 2, Hit3 (MH57), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
7OYM
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BU of 7oym by Molmil
Carbonic anhydrase II in complex with Hit2 (MH65)
分子名称: Carbonic anhydrase 2, Hit2 (MH65), ZINC ION
著者Kugler, M, Brynda, J, Rezacova, P.
登録日2021-06-24
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study.
Rsc Med Chem, 14, 2023
1YLJ
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BU of 1ylj by Molmil
Atomic resolution structure of CTX-M-9 beta-lactamase
分子名称: SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-9a
著者Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R.
登録日2005-01-19
公開日2005-04-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability.
J.Mol.Biol., 348, 2005
7G1L
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BU of 7g1l by Molmil
Crystal Structure of human FABP4 in complex with 6-(1,3-benzodioxol-5-ylmethyl)-3-sulfanyl-1,2,4-triazin-5-ol
分子名称: 6-[(2H-1,3-benzodioxol-5-yl)methyl]-3-sulfanyl-1,2,4-triazin-5-ol, FORMIC ACID, 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 (0.98 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
1GVT
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BU of 1gvt by Molmil
Endothiapepsin complex with CP-80,794
分子名称: ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide, SULFATE ION
著者Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B.
登録日2002-02-27
公開日2002-07-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
6K9J
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BU of 6k9j by Molmil
0.98 A three-dimensional structure of horse heart cytochrome C at 110K
分子名称: Cytochrome c, HEME C
著者Sugawara, Y, Endo, S.
登録日2019-06-16
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献0.98 A three-dimensional structure of horse heart cytochrome C at 110K
To Be Published
6TX6
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BU of 6tx6 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE
分子名称: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
5HMV
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BU of 5hmv by Molmil
Re refinement of 4mwk.
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Helliwell, J.R.
登録日2016-01-17
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)].
Struct Dyn, 3, 2016
4A7U
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BU of 4a7u by Molmil
Structure of human I113T SOD1 complexed with adrenaline in the p21 space group.
分子名称: ACETATE ION, COPPER (II) ION, L-EPINEPHRINE, ...
著者Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S.
登録日2011-11-14
公開日2012-11-28
最終更新日2013-05-08
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Ligand Binding and Aggregation of Pathogenic Sod1.
Nat.Commun., 4, 2013
1GQV
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BU of 1gqv by Molmil
Atomic Resolution (0.98A) Structure of Eosinophil-Derived Neurotoxin
分子名称: ACETATE ION, EOSINOPHIL-DERIVED NEUROTOXIN
著者Swaminathan, G.J, Holloway, D.E, Veluraja, K, Acharya, K.R.
登録日2001-12-05
公開日2002-03-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic Resolution (0.98 A) Structure of Eosinophil-Derived Neurotoxin
Biochemistry, 41, 2002

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