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1S01
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LARGE INCREASES IN GENERAL STABILITY FOR SUBTILISIN BPN(PRIME) THROUGH INCREMENTAL CHANGES IN THE FREE ENERGY OF UNFOLDING
分子名称: CALCIUM ION, ISOPROPYL ALCOHOL, Subtilisin BPN'
著者Whitlow, M, Howard, A.J, Wood, J.F.
登録日1989-08-21
公開日1990-10-15
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Large increases in general stability for subtilisin BPN' through incremental changes in the free energy of unfolding.
Biochemistry, 28, 1989
5GGT
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BU of 5ggt by Molmil
PD-L1 in complex with BMS-936559 Fab
分子名称: IGK@ protein, IgG H chain, Programmed cell death 1 ligand 1
著者Heo, Y.S.
登録日2016-06-16
公開日2016-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
6YUG
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Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P.
分子名称: 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase
著者Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L.
登録日2020-04-27
公開日2020-09-30
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development.
Mbio, 11, 2020
7OZU
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BU of 7ozu by Molmil
SARS-CoV-2 RdRp with Molnupiravir/ NHC in the template strand base-paired with A
分子名称: Non-structural protein 7, Non-structural protein 8, Product RNA, ...
著者Kabinger, F, Stiller, C, Schmitzova, J, Dienemann, C, Kokic, G, Hillen, H.S, Hoebartner, C, Cramer, P.
登録日2021-06-28
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanism of molnupiravir-induced SARS-CoV-2 mutagenesis.
Nat.Struct.Mol.Biol., 28, 2021
7OUG
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BU of 7oug by Molmil
STLV-1 intasome:B56 in complex with the strand-transfer inhibitor raltegravir
分子名称: DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), Integrase, ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
1RWP
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BU of 1rwp by Molmil
Crystal structure of human caspase-1 in complex with 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyric acid
分子名称: 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Fahr, B.T, O'Brien, T.
登録日2003-12-16
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
7OUH
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Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor bictegravir
分子名称: Bictegravir, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OUF
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Structure of the STLV intasome:B56 complex bound to the strand-transfer inhibitor XZ450
分子名称: 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, DNA (5'-D(*AP*CP*TP*GP*TP*GP*TP*TP*TP*GP*GP*CP*GP*CP*TP*TP*CP*TP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*AP*GP*AP*AP*GP*CP*GP*CP*CP*AP*AP*AP*CP*AP*CP*A)-3'), ...
著者Barski, M.S, Ballandras-Colas, A, Cronin, N.B, Pye, V.E, Cherepanov, P, Maertens, G.N.
登録日2021-06-11
公開日2021-08-18
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the inhibition of HTLV-1 integration inferred from cryo-EM deltaretroviral intasome structures.
Nat Commun, 12, 2021
7OVW
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BU of 7ovw by Molmil
Binding domain of botulinum neurotoxin E in complex with GD1a
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type E
著者Masuyer, G, Stenmark, P.
登録日2021-06-15
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of Ganglioside Receptor Recognition by Botulinum Neurotoxin Serotype E.
Int J Mol Sci, 22, 2021
2C7W
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BU of 2c7w by Molmil
Crystal Structure of human vascular endothelial growth factor-B: Identification of amino acids important for angiogeninc activity
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, VASCULAR ENDOTHELIAL GROWTH FACTOR B PRECURSOR
著者Iyer, S, Scotney, P.D, Nash, A.D, Acharya, K.R.
登録日2005-11-29
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal Structure of Human Vascular Endothelial Growth Factor-B: Identification of Amino Acids Important for Receptor Binding
J.Mol.Biol., 359, 2006
7OY4
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VDR complex of a side-chain hydroxylated derivatives of lithocholic acid
分子名称: (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2021-06-23
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
7OXZ
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VDR complex with a side-chain hydroxylated derivative of lithocholic acid
分子名称: (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2021-06-23
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
2C6W
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PENICILLIN-BINDING PROTEIN 1A (PBP-1A) FROM STREPTOCOCCUS PNEUMONIAE
分子名称: CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1A, ZINC ION
著者Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A.
登録日2005-11-14
公開日2005-12-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
1SA8
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BU of 1sa8 by Molmil
THE NMR STRUCTURE OF A STABLE AND COMPACT ALL-beta-SHEET VARIANT OF INTESTINAL FATTY ACID-BINDING PROTEIN
分子名称: Fatty acid-binding protein, intestinal
著者Ogbay, B, DeKoster, G.T, Cistola, D.P.
登録日2004-02-07
公開日2004-06-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The NMR structure of a stable and compact all-beta-sheet variant of intestinal fatty acid-binding protein.
Protein Sci., 13, 2004
2CCD
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BU of 2ccd by Molmil
Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
分子名称: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
著者Yu, H, Sacchettini, J.C.
登録日2006-01-16
公開日2006-01-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase- Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
8AN3
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S-layer protein SlaA from Sulfolobus acidocaldarius at pH 7.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gambelli, L, Isupov, M.N, Daum, B.
登録日2022-08-04
公開日2023-08-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the two-component S-layer of the archaeon Sulfolobus acidocaldarius.
Elife, 13, 2024
2CI5
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Crystal structure of Dimethylarginine Dimethylaminohydrolase I in complex with L-homocysteine
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CITRIC ACID, NG, ...
著者Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G.
登録日2006-03-17
公開日2006-05-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inbitors
Structure, 14, 2006
2CIG
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Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid.
分子名称: (4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
著者Argyrou, A, Vetting, M.W, Aladegbami, B, Blanchard, J.S.
登録日2006-03-20
公開日2006-04-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mycobacterium Tuberculosis Dihydrofolate Reductase is a Target for Isoniazid
Nat.Struct.Mol.Biol., 13, 2006
2CI1
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Crystal Structure of dimethylarginine dimethylaminohydrolase I in complex with S-nitroso-Lhomocysteine
分子名称: CITRIC ACID, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1
著者Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G.
登録日2006-03-17
公開日2006-05-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inhibitors.
Structure, 14, 2006
8ALU
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Crystal structure of the teichoic acid binding domain of SlpA, S-layer protein from Lactobacillus acidophilus (aa. 314-444)
分子名称: PHOSPHATE ION, S-layer protein
著者Eder, M, Dordic, A, Sagmeister, T, Vejzovic, D, Pavkov-Keller, T.
登録日2022-08-01
公開日2023-08-16
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
2CHZ
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A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93
分子名称: N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
著者Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M.
登録日2006-03-16
公開日2006-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
1C4E
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GURMARIN FROM GYMNEMA SYLVESTRE
分子名称: PROTEIN (GURMARIN)
著者Fletcher, J.I, Dingley, A.J, King, G.F.
登録日1999-07-27
公開日1999-08-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of gurmarin, a sweet-taste-suppressing plant polypeptide.
Eur.J.Biochem., 264, 1999
1TV4
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Crystal structure of the sulfite MtmB complex
分子名称: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1, SULFATE ION
著者Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K.
登録日2004-06-26
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
8ALX
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Structure of human PD-L1 in complex with inhibitor
分子名称: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ...
著者Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K.
登録日2022-08-01
公開日2023-08-16
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies.
Mol Cancer, 22, 2023
2CL6
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CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH S-caged GTP
分子名称: GTPASE HRAS, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION, ...
著者Klink, B.U, Goody, R.S, Scheidig, A.J.
登録日2006-04-26
公開日2006-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction.
Biophys.J., 91, 2006

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