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1DNF
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BU of 1dnf by Molmil
EFFECTS OF 5-FLUOROURACIL/GUANINE WOBBLE BASE PAIRS IN Z-DNA. MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGFG)
分子名称: DNA (5'-D(*CP*GP*CP*GP*(UFP)P*G)-3'), MAGNESIUM ION
著者Coll, M, Saal, D, Frederick, C.A, Aymami, J, Rich, A, Wang, A.H.-J.
登録日1988-12-12
公開日1990-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effects of 5-fluorouracil/guanine wobble base pairs in Z-DNA: molecular and crystal structure of d(CGCGFG).
Nucleic Acids Res., 17, 1989
6K5L
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BU of 6k5l by Molmil
The crystal structure of isocitrate dehydrogenase kinase/phosphatase wtih two Mn2+ from E. coli
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase kinase/phosphatase, ...
著者Zhang, X, Lei, Z, Zheng, J, Jia, Z.
登録日2019-05-29
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Characterization of metal binding of bifunctional kinase/phosphatase AceK and implication in activity modulation.
Sci Rep, 9, 2019
6KPQ
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BU of 6kpq by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 8
分子名称: 1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine, NS3 protease, Serine protease subunit NS2B
著者Quek, J.P.
登録日2019-08-15
公開日2020-06-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
3NXX
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BU of 3nxx by Molmil
Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
分子名称: 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2010-07-14
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
3OOH
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BU of 3ooh by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase with PO4
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
著者Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
登録日2010-08-31
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011
6CCH
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BU of 6cch by Molmil
NMR data-driven model of GTPase KRas-GMPPNP tethered to a nanodisc (E3 state)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M.
登録日2018-02-07
公開日2018-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site.
Cell Chem Biol, 25, 2018
4IJG
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BU of 4ijg by Molmil
Crystal structure of monomeric bacteriophytochrome
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, DI(HYDROXYETHYL)ETHER, ...
著者Auldridge, M.E.
登録日2012-12-21
公開日2013-12-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Origins of fluorescence in evolved bacteriophytochromes.
J.Biol.Chem., 289, 2014
6PQP
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BU of 6pqp by Molmil
Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist BITC
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzylthioformamide, ...
著者Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y.
登録日2019-07-09
公開日2020-01-08
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel.
Neuron, 105, 2020
1WOF
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Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
登録日2004-08-18
公開日2005-08-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
6PQO
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BU of 6pqo by Molmil
Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist JT010
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide, ...
著者Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y.
登録日2019-07-09
公開日2020-01-08
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel.
Neuron, 105, 2020
4INX
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BU of 4inx by Molmil
Structure of Pheromone-binding protein 1 in complex with (Z,Z)-11,13- hexadecadienol
分子名称: (11Z,13Z)-hexadeca-11,13-dien-1-ol, Pheromone-binding protein 1
著者di Luccio, E, Wilson, D.K.
登録日2013-01-07
公開日2013-03-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
1R78
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BU of 1r78 by Molmil
CDK2 complex with a 4-alkynyl oxindole inhibitor
分子名称: 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2
著者Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A.
登録日2003-10-20
公開日2004-01-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A new series of potent oxindole inhibitors of CDK2
Bioorg.Med.Chem.Lett., 14, 2004
7WLD
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BU of 7wld by Molmil
Cryo-EM structure of the human glycosylphosphatidylinositol transamidase complex at 2.53 Angstrom resolution
分子名称: (4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, Y, Li, T, Luo, Y, Chao, Y, Jia, G, Zhou, Z, Su, Z, Qu, Q, Li, D.
登録日2022-01-13
公開日2022-04-27
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Molecular insights into biogenesis of glycosylphosphatidylinositol anchor proteins.
Nat Commun, 13, 2022
7LUR
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BU of 7lur by Molmil
Stable Effector Functionless 2 (SEFL2) IgG1 Fc Scaffold Bound to a Minimized Version of the B-domain (Mini-Z) from Protein A Called Z34C
分子名称: Immunoglobulin heavy constant gamma 1, Mini Z domain
著者Sudom, A, Garces, F, Wang, Z.
登録日2021-02-23
公開日2021-09-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
2G3J
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BU of 2g3j by Molmil
Structure of S.olivaceoviridis xylanase Q88A/R275A mutant
分子名称: PHOSPHATE ION, Xylanase, alpha-D-xylopyranose-(1-4)-alpha-D-xylopyranose
著者Diertavitian, S, Kaneko, S, Fujimoto, Z, Kuno, A, Johansson, E, Lo Leggio, L.
登録日2006-02-20
公開日2007-03-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based engineering of glucose specificity in a family 10 xylanase from Streptomyces olivaceoviridis E-86
PROCESS BIOCHEM, 47, 2012
2G3I
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BU of 2g3i by Molmil
Structure of S.olivaceoviridis xylanase Q88A/R275A mutant
分子名称: PHOSPHATE ION, Xylanase
著者Diertavitian, S, Kaneko, S, Fujimoto, Z, Kuno, A, Johansson, E, Lo Leggio, L.
登録日2006-02-20
公開日2007-03-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based engineering of glucose specificity in a family 10 xylanase from Streptomyces olivaceoviridis E-86
PROCESS BIOCHEM, 47, 2012
3NXY
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BU of 3nxy by Molmil
Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
分子名称: 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V.
登録日2010-07-14
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
2BB7
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BU of 2bb7 by Molmil
Mn Form Of E. coli Methionine Aminopeptidase In Complex With a quinolinyl sulfonamide inhibitor
分子名称: MANGANESE (II) ION, Methionine aminopeptidase, N-(QUINOLIN-8-YL)METHANESULFONAMIDE, ...
著者Ye, Q.Z.
登録日2005-10-17
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Metal mediated inhibition of methionine aminopeptidase by quinolinyl sulfonamides
Biochem.Biophys.Res.Commun., 339, 2006
1F9E
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BU of 1f9e by Molmil
CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO
分子名称: (PHQ)DEVD, Caspase-8 subunit p10, Caspase-8 subunit p18
著者Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G.
登録日2000-07-10
公開日2001-07-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex.
J.Mol.Biol., 302, 2000
4K7M
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BU of 4k7m by Molmil
Crystal structure of RNase S variant (K7C/Q11C) with bound mercury ions
分子名称: MERCURY (II) ION, Ribonuclease pancreatic, SULFATE ION
著者Genz, M, Straeter, N.
登録日2013-04-17
公開日2013-11-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Apo- and Metalated Thiolate containing RNase S as Structural Basis for the Design of Artificial Metalloenzymes by Peptide- Protein Complementation
Z.Anorg.Allg.Chem., 639, 2013
3OOE
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BU of 3ooe by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase with PO4
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
著者Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
登録日2010-08-31
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011
2GUF
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In meso crystal structure of the cobalamin transporter, BtuB
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FORMIC ACID, Vitamin B12 transporter btuB, ...
著者Caffrey, M, Cherezov, V, Yamashita, E, Cramer, W.A.
登録日2006-04-29
公開日2006-12-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献In Meso Structure of the Cobalamin Transporter, BtuB, at 1.95 A Resolution.
J.Mol.Biol., 364, 2006
2H8I
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Crystal Structure of the Bothropstoxin-I complexed with polyethylene glycol
分子名称: DI(HYDROXYETHYL)ETHER, Phospholipase A2 homolog 1
著者Murakami, M.T, Arni, R.K.
登録日2006-06-07
公開日2007-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interfacial surface charge and free accessibility to the PLA2-active site-like region are essential requirements for the activity of Lys49 PLA2 homologues
Toxicon, 49, 2007
3OPV
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BU of 3opv by Molmil
Crystal structure of E. Coli purine nucleoside phosphorylase Arg24Ala mutant
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type
著者Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M.
登録日2010-09-02
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies.
Biochimie, 93, 2011
2AMD
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Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
分子名称: 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-09
公開日2005-09-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005

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