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4KHM
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HCV NS5B GT1A with GSK5852
分子名称: HCV Polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-30
公開日2013-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4Q1A
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BU of 4q1a by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol}
分子名称: 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4KBI
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BU of 4kbi by Molmil
HCV NS5B GT1B N316Y with CMPD 4
分子名称: 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
5GSX
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BU of 5gsx by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2
分子名称: 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-17
公開日2017-06-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5H36
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BU of 5h36 by Molmil
Crystal structures of the TRIC trimeric intracellular cation channel orthologue from Rhodobacter sphaeroides
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Uncharacterized protein TRIC
著者Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O.
登録日2016-10-20
公開日2017-01-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.409 Å)
主引用文献Crystal structures of the TRIC trimeric intracellular cation channel orthologues
Cell Res., 26, 2016
4J2O
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BU of 4j2o by Molmil
Crystal structure of NADP-bound WbjB from A. baumannii community strain D1279779
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, UDP-N-acetylglucosamine 4,6-dehydratase/5-epimerase
著者Shah, B.S, Harrop, S.J, Paulsen, I.T, Mabbutt, B.C.
登録日2013-02-05
公開日2013-04-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.653 Å)
主引用文献Crystal structure of a UDP-GlcNAc epimerase for surface polysaccharide biosynthesis in Acinetobacter baumannii.
Plos One, 13, 2018
1XSM
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BU of 1xsm by Molmil
PROTEIN R2 OF RIBONUCLEOTIDE REDUCTASE FROM MOUSE
分子名称: FE (III) ION, RIBONUCLEOTIDE REDUCTASE R2
著者Kauppi, B, Nielsen, B.N, Ramaswamy, S, Kjoller-Larsen, I, Thelander, M, Thelander, L, Eklund, H.
登録日1996-07-03
公開日1997-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The three-dimensional structure of mammalian ribonucleotide reductase protein R2 reveals a more-accessible iron-radical site than Escherichia coli R2.
J.Mol.Biol., 262, 1996
2HAI
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BU of 2hai by Molmil
Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.
分子名称: (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE, HEPATITIS C VIRUS NS5B RNA POLYMERASE
著者Li, H, Love, R.L.
登録日2006-06-12
公開日2006-09-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
4L5B
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BU of 4l5b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor
分子名称: 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2013-06-10
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
登録日2023-03-15
公開日2023-09-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
6Z9E
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BU of 6z9e by Molmil
1.55 A structure of human apoferritin obtained from data subset of Titan Mono-BCOR microscope
分子名称: Ferritin heavy chain, SODIUM ION
著者Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H.
登録日2020-06-03
公開日2020-06-24
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (1.55 Å)
主引用文献Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
登録日2023-03-15
公開日2023-09-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
6Z6J
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BU of 6z6j by Molmil
Cryo-EM structure of yeast Lso2 bound to 80S ribosomes under native condition
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Wells, J.N, Buschauer, R, Mackens-Kiani, T, Best, K, Kratzat, H, Berninghausen, O, Becker, T, Cheng, J, Beckmann, R.
登録日2020-05-28
公開日2020-07-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and function of yeast Lso2 and human CCDC124 bound to hibernating ribosomes.
Plos Biol., 18, 2020
4CVX
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BU of 4cvx by Molmil
COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE
分子名称: BETA-2-MICROGLOBULIN, MHC CLASS I ALPHA CHAIN 2, SELF-PEPTIDE
著者Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
登録日2014-03-31
公開日2015-05-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
1TYZ
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BU of 1tyz by Molmil
Crystal structure of 1-Aminocyclopropane-1-carboyxlate Deaminase from Pseudomonas
分子名称: 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H.
登録日2004-07-08
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes:Insight into the mechanism of unique pyrodoxial-5'-phosphate dependent cyclopropane ring opening reaction
Biochemistry, 43, 2004
1TZK
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BU of 1tzk by Molmil
Crystal structure of 1-aminocyclopropane-1-carboxylate-deaminase complexed with alpha-keto-butyrate
分子名称: 1-aminocyclopropane-1-carboxylate deaminase, 2-KETOBUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
著者Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H.
登録日2004-07-10
公開日2004-11-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction
Biochemistry, 43, 2004
1U3T
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BU of 1u3t by Molmil
Crystal Structure of Human Alcohol Dehydrogenase Alpha-Alpha Isoform Complexed with N-Cyclopentyl-N-Cyclobutylformamide Determined to 2.5 Angstrom Resolution
分子名称: Alcohol dehydrogenase alpha chain, CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Gibbons, B.J, Hurley, T.D.
登録日2004-07-23
公開日2004-10-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of three class I human alcohol dehydrogenases complexed with isoenzyme specific formamide inhibitors
Biochemistry, 43, 2004
6LQT
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BU of 6lqt by Molmil
Cryo-EM structure of 90S small subunit preribosomes in transition states (State E)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S pre-rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Ye, K.
登録日2020-01-14
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Cryo-EM structure of 90 S small ribosomal subunit precursors in transition states.
Science, 369, 2020
3KMR
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BU of 3kmr by Molmil
Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment
分子名称: 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
著者Bourguet, W, Teyssier, C.
登録日2009-11-11
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A unique secondary-structure switch controls constitutive gene repression by retinoic acid receptor.
Nat.Struct.Mol.Biol., 17, 2010
6LQQ
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Cryo-EM structure of 90S small subunit preribosomes in transition states (State B)
分子名称: 13 kDa ribonucleoprotein-associated protein, 18S pre-rRNA, 40S ribosomal protein S1-A, ...
著者Du, Y, Ye, K.
登録日2020-01-14
公開日2020-09-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structure of 90 S small ribosomal subunit precursors in transition states.
Science, 369, 2020
1U4L
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BU of 1u4l by Molmil
human RANTES complexed to heparin-derived disaccharide I-S
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACETIC ACID, Small inducible cytokine A5
著者Shaw, J.P, Johnson, Z, Borlat, F, Zwahlen, C, Kungl, A, Roulin, K, Harrenga, A, Wells, T.N.C, Proudfoot, A.E.I.
登録日2004-07-26
公開日2004-11-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The X-ray structure of RANTES: heparin-derived disaccharides allows the rational design of chemokine inhibitors.
Structure, 12, 2004
4CVT
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BU of 4cvt by Molmil
Structure of Apobacterioferritin Y58F variant
分子名称: BACTERIOFERRITIN, ZINC ION
著者Hingorani, K, Pace, R, Whitney, S, Murray, J.W, Wydrzynski, T, Cheah, M.H, Smith, P, Hillier, W.
登録日2014-03-29
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Photo-Oxidation of Tyrosine in a Bio-Engineered Bacterioferritin 'Reaction Centre'-A Protein Model for Artificial Photosynthesis.
Biochim.Biophys.Acta, 1837, 2014
3KYT
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BU of 3kyt by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
分子名称: 20-HYDROXYCHOLESTEROL, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2
著者Martynowski, D, Li, Y.
登録日2009-12-07
公開日2010-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010
3DHZ
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BU of 3dhz by Molmil
Apo (iron free) structure of C. ammoniagenes R2 protein
分子名称: FE (II) ION, Ribonucleotide reductase subunit R2F
著者Hogbom, M, Nordlund, P.
登録日2008-06-19
公開日2008-07-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and mutational studies of the carboxylate cluster in Iron-free Ribonucleotide Reductase R2.
Biochemistry, 43, 2004
3L0J
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BU of 3l0j by Molmil
Crystal structure of orphan nuclear receptor RORgamma in complex with natural ligand
分子名称: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 2
著者Martynowski, D, Li, Y.
登録日2009-12-10
公開日2010-03-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma.
Mol.Endocrinol., 24, 2010

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