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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
Descriptor: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-08
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, levansucrase
Authors:Meng, G, Futterer, K.
Deposit date:2003-04-04
Release date:2003-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-12-02
Release date:2012-06-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-23
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.227 Å)
Cite: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
Descriptor: MANGANESE (II) ION, MUCONATE LACTONIZING ENZYME
Authors:Helin, S, Kahn, P.C, Guha, B.H.L, Mallows, D.J, Goldman, A.
Deposit date:1995-09-20
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors: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.
Deposit date:2009-06-29
Release date:2009-08-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Coat protein, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Larson, S.B, Day, J.S, McPherson, A.
Deposit date:2014-02-07
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: 4-(2-aminoethyl)-2-cyclohexylphenol, beta-secretase 1
Authors:Kuglstatter, A, Hennig, M.
Deposit date:2008-01-02
Release date:2008-03-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, GLYCEROL, ...
Authors:Kasaragod, P, Venkatesan, R, Kiema, T.R, Hiltunen, J.K, Wierenga, R.K.
Deposit date:2010-02-05
Release date:2010-05-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, Peptidoglycan recognition protein, ...
Authors:Sharma, P, Singh, N, Sinha, M, Sharma, S, Perbandt, M, Betzel, C, Kaur, P, Srinivasan, A, Singh, T.P.
Deposit date:2008-01-26
Release date:2008-03-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, FE (III) ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-01-10
Release date:2008-01-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE
Authors:Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F.
Deposit date:2004-08-06
Release date:2004-10-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.02 Å)
Cite: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
Descriptor: 4-NITROQUINOLINE 1-OXIDE, COPPER INDUCED NITROREDUCTASE D, FLAVIN MONONUCLEOTIDE
Authors:Waltersperger, S, Oberholzer, A.E, Baumgartner, R.
Deposit date:2013-05-13
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.478 Å)
Cite: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.
Descriptor: (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, ...
Authors:Gulick, A.M, Drake, E.J, Aldrich, C.C, Neres, J.
Deposit date:2011-09-29
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,6-DIHYDROXY NAPHTHALENE, Aromatic prenyltransferase, GERANYL S-THIOLODIPHOSPHATE, ...
Authors:Kuzuyama, T, Noel, J.P, Richard, S.B.
Deposit date:2005-04-07
Release date:2005-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, XYLOGLUCANASE
Authors: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.
Deposit date:2007-01-18
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, TETRAMETHYLAMMONIUM ION, ...
Authors:Thoden, J.B, Wohlers, T.M, Fridovich-Keil, J.L, Holden, H.M.
Deposit date:2000-03-06
Release date:2000-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors: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.
Deposit date:2019-04-08
Release date:2019-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Lennartz, F, Higgins, M.K.
Deposit date:2019-07-10
Release date:2019-09-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.67 Å)
Cite: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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BU of 1k30 by Molmil
Crystal Structure Analysis of Squash (Cucurbita moschata) glycerol-3-phosphate (1)-acyltransferase
Descriptor: glycerol-3-phosphate acyltransferase
Authors: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.
Deposit date:2001-10-01
Release date:2001-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ...
Authors:Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
Deposit date:2014-01-16
Release date:2014-07-09
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, 1-(4-BROMOPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 1,4-DIAMINOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYLMETHIONINE DECARBOXYLASE PROENZYME
Authors:Ekstrom, J.L, Tolbert, W.D, Xiong, H, Pegg, A.E, Ealick, S.E.
Deposit date:2001-07-13
Release date:2001-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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

243083

数据于2025-10-15公开中

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