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1D89
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BU of 1d89 by Molmil
A DNA DODECAMER CONTAINING AN ADENINE TRACT CRYSTALLIZES IN A UNIQUE LATTICE AND EXHIBITS A NEW BEND
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*AP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*TP*TP*TP*TP*TP*CP*GP*CP*G)-3')
著者DiGabriele, A.D, Steitz, T.A.
登録日1992-07-17
公開日1993-07-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A DNA dodecamer containing an adenine tract crystallizes in a unique lattice and exhibits a new bend.
J.Mol.Biol., 231, 1993
6X1V
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BU of 6x1v by Molmil
Structure of pHis Fab (SC44-8) in complex with pHis mimetic peptide
分子名称: 1,2-ETHANEDIOL, ACLYana-3-pTza peptide, SC44-8 Heavy chain, ...
著者Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T.
登録日2020-05-19
公開日2021-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 118, 2021
5F0E
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Murine endoplasmic reticulum alpha-glucosidase II
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N.
登録日2015-11-27
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
1D9M
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BU of 1d9m by Molmil
SOLUTION STRUCTURE OF CECROPIN A(1-8)-MAGAININ 2 HYBRID PEPTIDE ANALOGUE(P2)
分子名称: CECROPIN A(1-8)-MAGAININ 2 HYBRID PEPTIDE ANALOGUE
著者Oh, D, Kim, Y.
登録日1999-10-28
公開日1999-11-12
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献NMR structural characterization of cecropin A(1-8) - magainin 2(1-12) and cecropin A (1-8) - melittin (1-12) hybrid peptides.
J.Pept.Res., 53, 1999
1CE9
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BU of 1ce9 by Molmil
HELIX CAPPING IN THE GCN4 LEUCINE ZIPPER
分子名称: PROTEIN (GCN4-PMSE)
著者Lu, M, Shu, W, Ji, H, Spek, E, Wang, L.-Y, Kallenbach, N.R.
登録日1999-03-18
公開日1999-03-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Helix capping in the GCN4 leucine zipper.
J.Mol.Biol., 288, 1999
1CLL
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BU of 1cll by Molmil
CALMODULIN STRUCTURE REFINED AT 1.7 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, CALMODULIN, ETHANOL
著者Chattopadhyaya, R, Quiocho, F.A.
登録日1992-09-29
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Calmodulin structure refined at 1.7 A resolution.
J.Mol.Biol., 228, 1992
6WK2
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BU of 6wk2 by Molmil
SETD3 mutant (N255V) in Complex with an Actin Peptide with His73 Replaced with Methionine
分子名称: 1,2-ETHANEDIOL, Actin, cytoplasmic 2, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2020-04-15
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Characterization of SETD3 methyltransferase-mediated protein methionine methylation.
J.Biol.Chem., 295, 2020
5F11
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BU of 5f11 by Molmil
Crystal structure of Fructokinase from Vibrio cholerae O395 in fructose bound form
分子名称: Fructokinase, SODIUM ION, beta-D-fructofuranose
著者Paul, R, Nath, S, Sen, U.
登録日2015-11-28
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
To Be Published
6WVV
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BU of 6wvv by Molmil
Plasmodium vivax M17 leucyl aminopeptidase
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, M17 leucyl aminopeptidase, ...
著者Malcolm, T.R, Drinkwater, N, McGowan, S.
登録日2020-05-07
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Active site metals mediate an oligomeric equilibrium in Plasmodium M17 aminopeptidases.
J.Biol.Chem., 296, 2020
2INE
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BU of 2ine by Molmil
Crystal Structure of Aldose Reductase complexed with Phenylacetic Acid
分子名称: 2-PHENYLACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Harrison, D.H.T, Milne, A, Brownlee, J.M.
登録日2006-10-06
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes.
Bioorg.Chem., 34, 2006
6X1T
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Structure of pHis Fab (SC50-3) in complex with pHis mimetic peptide
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kalagiri, R, Stanfield, R.L, Wilson, I.A, Hunter, T.
登録日2020-05-19
公開日2021-02-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 118, 2021
5EVY
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BU of 5evy by Molmil
Salicylate hydroxylase substrate complex
分子名称: 2-HYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Salicylate hydroxylase
著者Morimoto, Y, Uemura, T.
登録日2015-11-20
公開日2015-12-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献The catalytic mechanism of decarboxylative hydroxylation of salicylate hydroxylase revealed by crystal structure analysis at 2.5 angstrom resolution
Biochem.Biophys.Res.Commun., 469, 2016
3I8W
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BU of 3i8w by Molmil
Crystal structure of a metallacarborane inhibitor bound to HIV protease
分子名称: CHLORIDE ION, COBALT BIS(1,2-DICARBOLLIDE), GLYCEROL, ...
著者Rezacova, P.
登録日2009-07-10
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of HIV Protease Inhibitors Based on Inorganic Polyhedral Metallacarboranes
J.Med.Chem., 52, 2009
6X3C
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BU of 6x3c by Molmil
Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47)
分子名称: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, CHLORIDE ION, MAGNESIUM ION, ...
著者Chaires, H.A, Fraser, J.S.
登録日2020-05-21
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6WML
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BU of 6wml by Molmil
Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod)
分子名称: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L.
登録日2020-04-21
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.
J.Med.Chem., 63, 2020
1U9Q
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BU of 1u9q by Molmil
Crystal structure of cruzain bound to an alpha-ketoester
分子名称: [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain
著者Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S.
登録日2004-08-10
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
1CLF
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BU of 1clf by Molmil
CLOSTRIDIUM PASTEURIANUM FERREDOXIN
分子名称: FERREDOXIN, IRON/SULFUR CLUSTER
著者Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H.
登録日1995-06-21
公開日1996-01-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum.
Eur.J.Biochem., 232, 1995
7T71
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BU of 7t71 by Molmil
Crystal Structure of Mevalonate 3,5-Bisphosphate Decarboxylase from Picrophilus Torridus
分子名称: Mevalonate 3,5-bisphosphate decarboxylase, OLEIC ACID
著者Vinokur, J.M, Sawaya, M.R, Cascio, D, Collazo, M, Bowie, J.U.
登録日2021-12-14
公開日2021-12-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal structure of mevalonate 3,5-bisphosphate decarboxylase reveals insight into the evolution of decarboxylases in the mevalonate metabolic pathways.
J.Biol.Chem., 298, 2022
6WUF
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BU of 6wuf by Molmil
Crystal structure of mouse DXO in complex with 3'-FADP
分子名称: 1,2-ETHANEDIOL, Decapping and exoribonuclease protein, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
著者Doamekpor, S.K, Tong, L.
登録日2020-05-04
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DXO/Rai1 enzymes remove 5'-end FAD and dephospho-CoA caps on RNAs.
Nucleic Acids Res., 48, 2020
5EYN
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BU of 5eyn by Molmil
Crystal structure of Fructokinase from Vibrio cholerae O395 in fructose, ADP, Beryllium trifluoride and calcium ion bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ...
著者Paul, R, Nath, S, Sen, U.
登録日2015-11-25
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.289 Å)
主引用文献Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
To Be Published
7TE8
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BU of 7te8 by Molmil
CA14-CBD-DB21 ternary complex
分子名称: CA14, DB21, cannabidiol
著者Cao, S, Zheng, N.
登録日2022-01-04
公開日2022-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Defining molecular glues with a dual-nanobody cannabidiol sensor.
Nat Commun, 13, 2022
6WXX
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crystal structure of cA4-activated Card1
分子名称: Card1, MANGANESE (II) ION, cA4
著者Rostol, J, Xie, W, Patel, D.J, Marraffini, L.
登録日2020-05-12
公開日2020-12-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Card1 nuclease provides defence during type III CRISPR immunity.
Nature, 590, 2021
5F0Z
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Crystal structure of Fructokinase from Vibrio cholerae O395 in fructose, ADP and calcium ion bound form
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Fructokinase, ...
著者Paul, R, Nath, S, Sen, U.
登録日2015-11-28
公開日2016-11-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of Fructokinase from Vibrio cholerae O395 in apo form
To Be Published
6X3J
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Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F0224 (46)
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, CHLORIDE ION, MAGNESIUM ION, ...
著者Chaires, H.A, Fraser, J.S.
登録日2020-05-21
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6HWU
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Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019

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