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7DUB
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BU of 7dub by Molmil
Crystal structure of VIM-2 MBL in complex with 1-isopropyl-1H-imidazole-2-carboxylic acid
分子名称: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Li, G.-B, Yan, Y.-H.
登録日2021-01-08
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
1OYG
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BU of 1oyg by Molmil
Crystal structure of Bacillus subtilis levansucrase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, levansucrase
著者Meng, G, Futterer, K.
登録日2003-04-04
公開日2003-10-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural framework of fructosyl transfer in Bacillus subtilis levansucrase
Nat.Struct.Biol., 10, 2003
3UWS
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BU of 3uws by Molmil
Crystal structure of a clostripain (PARMER_00083) from Parabacteroides merdae ATCC 43184 at 1.70 A resolution
分子名称: 1,2-ETHANEDIOL, hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2011-12-02
公開日2012-06-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure and Activity Studies of the C11 Cysteine Peptidase from Parabacteroides merdae in the Human Gut Microbiome.
J.Biol.Chem., 291, 2016
7DZ0
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BU of 7dz0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.227 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
1MUC
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BU of 1muc by Molmil
STRUCTURE OF MUCONATE LACTONIZING ENZYME AT 1.85 ANGSTROMS RESOLUTION
分子名称: MANGANESE (II) ION, MUCONATE LACTONIZING ENZYME
著者Helin, S, Kahn, P.C, Guha, B.H.L, Mallows, D.J, Goldman, A.
登録日1995-09-20
公開日1996-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The refined X-ray structure of muconate lactonizing enzyme from Pseudomonas putida PRS2000 at 1.85 A resolution.
J.Mol.Biol., 254, 1995
2WM3
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BU of 2wm3 by Molmil
Crystal structure of NmrA-like family domain containing protein 1 in complex with niflumic acid
分子名称: 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Bhatia, C, Yue, W.W, Niesen, F, Pilka, E, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
登録日2009-06-29
公開日2009-08-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
To be Published
4OQ8
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BU of 4oq8 by Molmil
Satellite Tobacco Mosaic Virus Refined to 1.4 A Resolution using icosahedral constraints
分子名称: Coat protein, MAGNESIUM ION, PHOSPHATE ION, ...
著者Larson, S.B, Day, J.S, McPherson, A.
登録日2014-02-07
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Satellite tobacco mosaic virus refined to 1.4 angstrom resolution.
Acta Crystallogr.,Sect.D, 70, 2014
3BUH
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BU of 3buh by Molmil
BACE-1 complexed with compound 4
分子名称: 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1
著者Kuglstatter, A, Hennig, M.
登録日2008-01-02
公開日2008-03-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyramine fragment binding to BACE-1
Bioorg.Med.Chem.Lett., 18, 2008
2X58
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BU of 2x58 by Molmil
The crystal structure of MFE1 liganded with CoA
分子名称: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, GLYCEROL, ...
著者Kasaragod, P, Venkatesan, R, Kiema, T.R, Hiltunen, J.K, Wierenga, R.K.
登録日2010-02-05
公開日2010-05-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of Liganded Rat Peroxisomal Multifunctional Enzyme Type 1: A Flexible Molecule with Two Interconnected Active Sites
J.Biol.Chem., 285, 2010
3C2X
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BU of 3c2x by Molmil
Crystal structure of peptidoglycan recognition protein at 1.8A resolution
分子名称: GLYCEROL, L(+)-TARTARIC ACID, Peptidoglycan recognition protein, ...
著者Sharma, P, Singh, N, Sinha, M, Sharma, S, Perbandt, M, Betzel, C, Kaur, P, Srinivasan, A, Singh, T.P.
登録日2008-01-26
公開日2008-03-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of the peptidoglycan recognition protein at 1.8 A resolution reveals dual strategy to combat infection through two independent functional homodimers
J.Mol.Biol., 378, 2008
3BWW
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BU of 3bww by Molmil
Crystal structure of a duf692 family protein (hs_1138) from haemophilus somnus 129pt at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, FE (III) ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2008-01-10
公開日2008-01-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of protein of unknown function (DUF692/COG3220) (YP_719350.1) from Haemophilus somnus 129PT at 2.20 A resolution
To be published
1U8O
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BU of 1u8o by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKHAS
分子名称: ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE
著者Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F.
登録日2004-08-06
公開日2004-10-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.02 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
4BNB
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BU of 4bnb by Molmil
Nitroreductase CinD from Lactococcus lactis in complex with 4- nitroquinoline 1-oxide
分子名称: 4-NITROQUINOLINE 1-OXIDE, COPPER INDUCED NITROREDUCTASE D, FLAVIN MONONUCLEOTIDE
著者Waltersperger, S, Oberholzer, A.E, Baumgartner, R.
登録日2013-05-13
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献Nitroreductase Cind from Lactococcus Lactis in Complex with 2 4-Nitroquinoline 1-Oxidenone
To be Published
3U16
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BU of 3u16 by Molmil
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, ...
著者Gulick, A.M, Drake, E.J, Aldrich, C.C, Neres, J.
登録日2011-09-29
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii.
J.Med.Chem., 56, 2013
1ZB6
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BU of 1zb6 by Molmil
Co-Crystal Structure of ORF2 an Aromatic Prenyl Transferase from Streptomyces sp. strain cl190 complexed with GSPP and 1,6-dihydroxynaphtalene
分子名称: 1,6-DIHYDROXY NAPHTHALENE, Aromatic prenyltransferase, GERANYL S-THIOLODIPHOSPHATE, ...
著者Kuzuyama, T, Noel, J.P, Richard, S.B.
登録日2005-04-07
公開日2005-06-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for the promiscuous biosynthetic prenylation of aromatic natural products.
Nature, 435, 2005
2JEP
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BU of 2jep by Molmil
Native family 5 xyloglucanase from Paenibacillus pabuli
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, XYLOGLUCANASE
著者Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J.
登録日2007-01-18
公開日2007-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12.
J.Biol.Chem., 282, 2007
1EK6
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BU of 1ek6 by Molmil
STRUCTURE OF HUMAN UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH NADH AND UDP-GLUCOSE
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, TETRAMETHYLAMMONIUM ION, ...
著者Thoden, J.B, Wohlers, T.M, Fridovich-Keil, J.L, Holden, H.M.
登録日2000-03-06
公開日2000-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic evidence for Tyr 157 functioning as the active site base in human UDP-galactose 4-epimerase.
Biochemistry, 39, 2000
4YRI
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BU of 4yri by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
分子名称: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
6JSG
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BU of 6jsg by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I.
登録日2019-04-08
公開日2019-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
6S8U
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BU of 6s8u by Molmil
Structure of the PfEMP1 IT4var13 DBLbeta domain bound to ICAM-1
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, Erythrocyte membrane protein 1, ...
著者Lennartz, F, Higgins, M.K.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.67 Å)
主引用文献Structural insights into diverse modes of ICAM-1 binding byPlasmodium falciparum-infected erythrocytes.
Proc.Natl.Acad.Sci.USA, 116, 2019
1K30
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Crystal Structure Analysis of Squash (Cucurbita moschata) glycerol-3-phosphate (1)-acyltransferase
分子名称: glycerol-3-phosphate acyltransferase
著者Turnbull, A.P, Rafferty, J.B, Sedelnikova, S.E, Slabas, A.R, Schierer, T.P, Kroon, J.T, Simon, J.W, Fawcett, T, Nishida, I, Murata, N, Rice, D.W.
登録日2001-10-01
公開日2001-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Analysis of the structure, substrate specificity, and mechanism of squash glycerol-3-phosphate (1)-acyltransferase.
Structure, 9, 2001
4OGY
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BU of 4ogy by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ...
著者Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
登録日2014-01-16
公開日2014-07-09
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
4YRP
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BU of 4yrp by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(4-BROMOPHENYL)METHANAMINE (Chem 707)
分子名称: 1,2-ETHANEDIOL, 1-(4-BROMOPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4LSV
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BU of 4lsv by Molmil
Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
1JL0
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BU of 1jl0 by Molmil
Structure of a Human S-Adenosylmethionine Decarboxylase Self-processing Ester Intermediate and Mechanism of Putrescine Stimulation of Processing as Revealed by the H243A Mutant
分子名称: 1,4-DIAMINOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYLMETHIONINE DECARBOXYLASE PROENZYME
著者Ekstrom, J.L, Tolbert, W.D, Xiong, H, Pegg, A.E, Ealick, S.E.
登録日2001-07-13
公開日2001-08-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a human S-adenosylmethionine decarboxylase self-processing ester intermediate and mechanism of putrescine stimulation of processing as revealed by the H243A mutant.
Biochemistry, 40, 2001

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