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3IDI
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BU of 3idi by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 Fab' fragment in complex with gp41 Peptide ALDKWNQ
分子名称: 2F5 Fab heavy chain, 2F5 Fab light chain, GLYCEROL, ...
著者Julien, J.-P, Bryson, S, Pai, E.F.
登録日2009-07-21
公開日2010-03-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
4YJK
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BU of 4yjk by Molmil
Crystal structure of C212S mutant of Shewanella oneidensis MR-1 uridine phosphorylase
分子名称: SULFATE ION, URACIL, Uridine phosphorylase
著者Safonova, T.N, Mordkovich, N.N, Manuvera, V.A, Dorovatovsky, P.V, Veiko, V.P, Popov, V.O, Polyakov, K.M.
登録日2015-03-03
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Concerted action of two subunits of the functional dimer of Shewanella oneidensis MR-1 uridine phosphorylase derived from a comparison of the C212S mutant and the wild-type enzyme.
Acta Crystallogr D Struct Biol, 72, 2016
6AXY
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BU of 6axy by Molmil
Structure of the V11I/T58A/I124A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Identification of a novel element in HIV-1 capsid critical for assembly and maturation
To be published
1RZ7
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BU of 1rz7 by Molmil
CRYSTAL STRUCTURE OF HUMAN ANTI-HIV-1 GP120-REACTIVE ANTIBODY 48D
分子名称: Fab 48d heavy chain, Fab 48d light chain, GLYCEROL
著者Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D.
登録日2003-12-24
公開日2004-02-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120
Proc.Natl.Acad.Sci.USA, 101, 2004
6FIL
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BU of 6fil by Molmil
DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5%
分子名称: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
1K3O
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BU of 1k3o by Molmil
Crystal Structure Analysis of apo Glutathione S-Transferase
分子名称: GLUTATHIONE S-TRANSFERASE A1
著者Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T.
登録日2001-10-03
公開日2002-10-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site.
Proteins, 48, 2002
2VN8
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BU of 2vn8 by Molmil
Crystal structure of human Reticulon 4 interacting protein 1 in complex with NADPH
分子名称: CITRIC ACID, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pike, A.C.W, Guo, K, Elkins, J, Ugochukwu, E, Roos, A.K, Filippakopoulos, P, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Oppermann, U.
登録日2008-01-31
公開日2008-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Human Reticulon 4 Interacting Protein 1 in Complex with Nadph
To be Published
6UAW
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BU of 6uaw by Molmil
Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Pseudomonas viridiflava (PvGH128_II) in complex with laminaritriose
分子名称: Glyco_hydro_cc domain-containing protein, SULFATE ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Santos, C.R, Costa, P.A.C.R, Lima, E.A, Mandelli, F, Murakami, M.T.
登録日2019-09-11
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
1M0L
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BU of 1m0l by Molmil
BACTERIORHODOPSIN/LIPID COMPLEX AT 1.47 A RESOLUTION
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN, ...
著者Lanyi, J.K.
登録日2002-06-13
公開日2002-09-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallographic structure of the K intermediate of bacteriorhodopsin: conservation of free energy after photoisomerization of the retinal.
J.Mol.Biol., 321, 2002
7V19
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BU of 7v19 by Molmil
Local refinement of Band 3-II transmembrane domains, class 1 of erythrocyte ankyrin-1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
1M22
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BU of 1m22 by Molmil
X-ray structure of native peptide amidase from Stenotrophomonas maltophilia at 1.4 A
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, peptide amidase
著者Labahn, J, Neumann, S, Buldt, G, Kula, M.-R, Granzin, J.
登録日2002-06-21
公開日2002-10-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An alternative mechanism for amidase signature enzymes
J.MOL.BIOL., 322, 2002
1RZF
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BU of 1rzf by Molmil
Crystal structure of Human anti-HIV-1 GP120-reactive antibody E51
分子名称: Fab E51 heavy chain, Fab E51 light chain, GLYCEROL, ...
著者Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D.
登録日2003-12-24
公開日2004-02-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120
Proc.Natl.Acad.Sci.USA, 101, 2004
5EM6
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BU of 5em6 by Molmil
EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
分子名称: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-11-05
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7, 2016
5UZS
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BU of 5uzs by Molmil
Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P200
分子名称: 1,2-ETHANEDIOL, 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, DI(HYDROXYETHYL)ETHER, ...
著者Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-27
公開日2017-03-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.367 Å)
主引用文献Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P200
To Be Published
6AXS
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BU of 6axs by Molmil
Structure of the V11I/T58A/P122A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Identification of a novel element in HIV-1 capsid critical for assembly and maturation
To be published
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
分子名称: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
2VLB
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BU of 2vlb by Molmil
Structure of unliganded arylmalonate decarboxylase
分子名称: 1,2-ETHANEDIOL, ARYLMALONATE DECARBOXYLASE, BETA-MERCAPTOETHANOL, ...
著者Kuettner, E.B, Keim, A, Kircher, M, Rosmus, S, Strater, N.
登録日2008-01-11
公開日2008-03-18
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Active Site Mobility Revealed by the Crystal Structure of Arylmalonate Decarboxylase from Bordetella Bronchiseptica
J.Mol.Biol., 377, 2008
5EQJ
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BU of 5eqj by Molmil
Crystal structure of the two-subunit tRNA m1A58 methyltransferase from Saccharomyces cerevisiae
分子名称: tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRM61, tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6
著者Zhu, Y, Wang, M, Wang, C, Fan, X, Jiang, X, Teng, M, Li, X.
登録日2015-11-13
公開日2016-09-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the two-subunit tRNA m(1)A58 methyltransferase TRM6-TRM61 from Saccharomyces cerevisiae.
Sci Rep, 6, 2016
5K0N
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BU of 5k0n by Molmil
Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, ...
著者Ehler, A, Rodriguez-Sarmiento, R.M.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
4N71
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BU of 4n71 by Molmil
X-Ray Crystal Structure of 2-amino-1-hydroxyethylphosphonate-bound PhnZ
分子名称: FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid
著者Woersdoerfer, B, Lingaraju, M, Yennawar, N, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.-E.
登録日2013-10-14
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.984 Å)
主引用文献Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Proc.Natl.Acad.Sci.USA, 110, 2013
5CVJ
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BU of 5cvj by Molmil
Monolignol 4-O-methyltransferase 5 - coniferyl alcohol
分子名称: (Iso)eugenol O-methyltransferase, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, NITRATE ION, ...
著者Cai, Y, Liu, C.-J.
登録日2015-07-27
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of coniferyl alcohol bound monolignol 4-O-methyltransferase at 1.68 Angstroms resolution
To Be Published
5B0P
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BU of 5b0p by Molmil
Beta-1,2-Mannobiose phosphorylase from Listeria innocua - glycerol complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Lin0857 protein, ...
著者Tsuda, T, Arakawa, T, Fushinobu, S.
登録日2015-11-02
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization and crystal structure determination of beta-1,2-mannobiose phosphorylase from Listeria innocua
Febs Lett., 589, 2015
4QGD
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BU of 4qgd by Molmil
Crystal Structure of the Complex of Phospholipase A2 with Gramine derivative at 1.80 A Resolution
分子名称: 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa
著者Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2014-05-22
公開日2014-06-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures and binding studies of the complexes of phospholipase A2 with five inhibitors
Biochim.Biophys.Acta, 1854, 2015
3H1V
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BU of 3h1v by Molmil
Human glucokinase in complex with a synthetic activator
分子名称: 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ...
著者Kamata, K, Takahashi, K.
登録日2009-04-14
公開日2009-10-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators.
Bioorg.Med.Chem., 17, 2009
3JQ0
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BU of 3jq0 by Molmil
Crystal structure of SusD superfamily protein (YP_001299712.1) from Bacteroides vulgatus ATCC 8482 at 1.13 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-09-04
公開日2009-09-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structure of SusD superfamily protein (YP_001299712.1) from Bacteroides vulgatus ATCC 8482 at 1.13 A resolution
To be published

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