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3M0Q
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Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 5.
分子名称: SULFATE ION, Spectrin alpha chain, brain
著者Camara-Artigas, A, Gavira, J.A.
登録日2010-03-03
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures
Acta Crystallogr.,Sect.D, 2011
4CK8
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STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD)
分子名称: (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
登録日2013-12-30
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
3MVR
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BU of 3mvr by Molmil
Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Shah, M.B, Stout, C.D, Halpert, J.R.
登録日2010-05-04
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-ray Crystallography.
J.Biol.Chem., 285, 2010
3MWS
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BU of 3mws by Molmil
Crystal Structure of Group N HIV-1 Protease
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease
著者Sayer, J.M, Agniswamy, J, Weber, I.T, Louis, J.M.
登録日2010-05-06
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: relevance to drug resistance.
Protein Sci., 19, 2010
6DV0
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BU of 6dv0 by Molmil
HIV-1 wild type protease with GRL-02815A, a thiochroman heterocycle with (S)-Boc-amine functionality as the P2 ligand
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2018-06-22
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands.
Eur J Med Chem, 160, 2018
3MWZ
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BU of 3mwz by Molmil
Crystal structure of the selenomethionine derivative of the L 22,47,100 M mutant of sialostatin L2
分子名称: SULFATE ION, sialostatin L2
著者Andersen, J.F.
登録日2010-05-06
公開日2010-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The crystal structures of two salivary cystatins from the tick Ixodes scapularis and the effect of these inhibitors on the establishment of Borrelia burgdorferi infection in a murine model.
Mol.Microbiol., 77, 2010
3MX8
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Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
分子名称: CHLORIDE ION, Ribonuclease pancreatic, LINKER, ...
著者Leich, F, Neumann, P, Lilie, H, Ulbrich-Hofmann, R, Arnold, U.
登録日2010-05-07
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Febs J., 278, 2011
3MXH
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Native structure of a c-di-GMP riboswitch from V. cholerae
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, U1 small nuclear ribonucleoprotein A, ...
著者Strobel, S.A, Smith, K.D.
登録日2010-05-07
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
3MYN
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BU of 3myn by Molmil
Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Bowden, E.F, de Serrano, V.S, D'Antonio, E.L, Franzen, S.
登録日2010-05-10
公開日2011-04-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin.
Biochemistry, 50, 2011
6DG1
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BU of 6dg1 by Molmil
NMR structure of the second qRRM2 domain of human hnRNP H
分子名称: qRRM2 domain of Heterogeneous nuclear ribonucleoprotein H2
著者Srinivasa, R.P.
登録日2018-05-16
公開日2018-09-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H.
J. Am. Chem. Soc., 2018
7D7V
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BU of 7d7v by Molmil
Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+) and U1A protein
分子名称: 17delU1A (58-MER), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Chen, H, Ren, A.M.
登録日2020-10-06
公開日2020-11-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural distinctions between NAD+ riboswitch domains 1 and 2 determine differential folding and ligand binding.
Nucleic Acids Res., 48, 2020
4CFY
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BU of 4cfy by Molmil
SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS
分子名称: CALCIUM ION, SODIUM ION, SUBTILISIN SAVINASE
著者Frankaer, C.G, Moroz, O.V, Turkenburg, J.P, Aspmo, S.I, Thymark, M, Friis, E.P, Stahla, K, Nielsen, J.E, Wilson, K.S, Harris, P.
登録日2013-11-19
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Analysis of an Industrial Production Suspension of Bacillus Lentus Subtilisin Crystals by Powder Diffraction: A Powerful Quality-Control Tool.
Acta Crystallogr.,Sect.D, 70, 2014
4CK4
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BU of 4ck4 by Molmil
Ovine beta-Lactoglobulin at Atomic Resolution
分子名称: ACETATE ION, AMMONIUM ION, BETA_LACTOGLOBULIN-1/B, ...
著者Kontopidis, G, Nordle, A, Sawyer, L.
登録日2013-12-27
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Ovine Beta-Lactoglobulin at Atomic Resolution
Acta Crystallogr.,Sect.F, 70, 2014
6DZF
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BU of 6dzf by Molmil
Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Juers, D.H.
登録日2018-07-03
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
7D0W
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BU of 7d0w by Molmil
Crystal structure of Hen Egg White Lysozyme
分子名称: CHLORIDE ION, Lysozyme C
著者Iqbal, S, Krishnasamy, G.
登録日2020-09-12
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Hen Egg White Lysozyme
To Be Published
6DZH
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HRAS G13D bound to GDP (H13GDP)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GLYCEROL, ...
著者Johnson, C.W, Mattos, C.
登録日2018-07-04
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
6E02
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BU of 6e02 by Molmil
WT swMb-MeNO
分子名称: Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Herrera, V.E.
登録日2018-07-05
公開日2019-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
3MWQ
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BU of 3mwq by Molmil
Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
分子名称: GLYCEROL, Ribonuclease pancreatic, LINKER, ...
著者Neumann, P, Leich, F.
登録日2010-05-06
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Febs J., 278, 2011
3N3I
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BU of 3n3i by Molmil
Crystal Structure of G48V/C95F tethered HIV-1 Protease/Saquinavir complex
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease
著者Prashar, V, Bihani, S.C, Das, A, Rao, D.R, Hosur, M.V.
登録日2010-05-20
公開日2010-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Insights into the mechanism of drug resistance: X-ray structure analysis of G48V/C95F tethered HIV-1 protease dimer/saquinavir complex
Biochem.Biophys.Res.Commun., 396, 2010
4CK9
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BU of 4ck9 by Molmil
STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFT)
分子名称: (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
登録日2013-12-31
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
6E03
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BU of 6e03 by Molmil
sperm whale myoglobin nitrosoethane adduct
分子名称: CHLORIDE ION, Myoglobin, NITROSOETHANE, ...
著者Herrera, V.E.
登録日2018-07-05
公開日2019-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
3MU5
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BU of 3mu5 by Molmil
Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Third step of radiation damage
分子名称: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
著者Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
登録日2010-05-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.404 Å)
主引用文献X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MUT
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Crystal Structure of the G20A/C92U mutant c-di-GMP riboswith bound to c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), G20A/C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ...
著者Strobel, S.A, Smith, K.D.
登録日2010-05-03
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
7DGN
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The Co-bound dimeric structure of K79H/G80A/H81A myoglobin
分子名称: COBALT (II) ION, Myoglobin, OXYGEN ATOM, ...
著者Nagao, S, Idomoto, A, Shibata, N, Higuchi, Y, Hirota, S.
登録日2020-11-12
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rational design of metal-binding sites in domain-swapped myoglobin dimers.
J.Inorg.Biochem., 217, 2021
4CKU
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Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
分子名称: 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2
著者Tars, K, Leitans, J, Jaudzems, K.
登録日2014-01-08
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
Acs Med.Chem.Lett., 5, 2014

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