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8RAF
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BU of 8raf by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I (holo form)
Descriptor: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
Authors:Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M.
Deposit date:2023-12-01
Release date:2023-12-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases.
Arch.Biochem.Biophys., 756, 2024
5U22
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BU of 5u22 by Molmil
Structure of N2152 from Neocallimastix frontalis
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2016-11-29
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Discovery and characterization of family 39 glycoside hydrolases from rumen anaerobic fungi with polyspecific activity on rare arabinosyl substrates.
J. Biol. Chem., 292, 2017
8RAI
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BU of 8rai by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis point mutant R90I complexed with phenylhydrazine
Descriptor: Aminotransferase class IV, GLYCEROL, [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate
Authors:Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y, Boyko, K.M.
Deposit date:2023-12-01
Release date:2023-12-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multifunctionality of arginine residues in the active sites of non-canonical d-amino acid transaminases.
Arch.Biochem.Biophys., 756, 2024
7TPU
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BU of 7tpu by Molmil
Crystal structure of a chitinase-modifying protein from Fusarium vanettenii (Fvan-cmp)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-lactamase domain-containing protein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Dowling, N.V, Naumann, T.A, Price, N.P.J, Rose, D.R.
Deposit date:2022-01-26
Release date:2023-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of a polyglycine hydrolase determined using a RoseTTAFold model.
Acta Crystallogr D Struct Biol, 79, 2023
1HUR
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BU of 1hur by Molmil
HUMAN ADP-RIBOSYLATION FACTOR 1 COMPLEXED WITH GDP, FULL LENGTH NON-MYRISTOYLATED
Descriptor: GUANOSINE-5'-DIPHOSPHATE, HUMAN ADP-RIBOSYLATION FACTOR 1, MAGNESIUM ION
Authors:Amor, J.C, Harrison, D.H, Kahn, R.A, Ringe, D.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the human ADP-ribosylation factor 1 complexed with GDP.
Nature, 372, 1994
2AHK
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BU of 2ahk by Molmil
Crystal structure of the met-form of the copper-bound Streptomyces castaneoglobisporus tyrosinase in complex with a caddie protein obtained by soking in cupric sulfate for 6 months
Descriptor: CADDIE PROTEIN ORF378, COPPER (II) ION, NITRATE ION, ...
Authors:Matoba, Y, Kumagai, T, Yamamoto, A, Yoshitsu, H, Sugiyama, M.
Deposit date:2005-07-28
Release date:2006-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystallographic Evidence That the Dinuclear Copper Center of Tyrosinase Is Flexible during Catalysis
J.Biol.Chem., 281, 2006
1HGX
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BU of 1hgx by Molmil
HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE (HGXPRTASE)
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE-XANTHINE PHOSPHORIBOSYLTRANSFERASE, SULFATE ION
Authors:Somoza, J.R, Wang, C.C, Fletterick, R.J.
Deposit date:1996-03-12
Release date:1996-08-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the hypoxanthine-guanine-xanthine phosphoribosyltransferase from the protozoan parasite Tritrichomonas foetus.
Biochemistry, 35, 1996
1GR7
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BU of 1gr7 by Molmil
Crystal structure of the double mutant Cys3Ser/Ser100Pro from Pseudomonas Aeruginosa at 1.8 A resolution
Descriptor: AZURIN, COPPER (II) ION
Authors:Okvist, M, Bonander, N, Sandberg, A, Karlsson, B.G, Krengel, U, Xue, Y, Sjolin, L.
Deposit date:2001-12-14
Release date:2002-05-16
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the double azurin mutant Cys3Ser/Ser100Pro from Pseudomonas aeruginosa at 1.8 A resolution: its folding-unfolding energy and unfolding kinetics.
Biochim.Biophys.Acta, 1596, 2002
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
Authors:Sheriff, S.
Deposit date:2021-04-01
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.924 Å)
Cite:Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
3LE7
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BU of 3le7 by Molmil
Crystal structure of PD-L1 from P. dioica in complex with adenine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein PD-L1/PD-L2
Authors:Ruggiero, A, Berisio, R.
Deposit date:2010-01-14
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The role of the glycan moiety on the structure-function relationships of PD-L1, type 1 ribosome-inactivating protein from P. dioica leaves
Mol Biosyst, 6, 2010
6RWP
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BU of 6rwp by Molmil
Engineered beta-lactoglobulin: variant L58F in complex with myristic acid
Descriptor: Beta-lactoglobulin, MYRISTIC ACID, SULFATE ION
Authors:Loch, J.I, Kaczor, K, Lewinski, K.
Deposit date:2019-06-05
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
6RWQ
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BU of 6rwq by Molmil
Engineered beta-lactoglobulin: variant F105L in complex with myristic acid
Descriptor: 1,2-ETHANEDIOL, Beta-lactoglobulin, MYRISTIC ACID
Authors:Loch, J.I, Gotkowski, M, Lewinski, K.
Deposit date:2019-06-05
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
6RWR
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BU of 6rwr by Molmil
Engineered beta-lactoglobulin: variant M107L in complex with myristic acid
Descriptor: Beta-lactoglobulin, MYRISTIC ACID
Authors:Loch, J.I, Gotkowski, M, Lewinski, K.
Deposit date:2019-06-05
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
3FUN
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BU of 3fun by Molmil
Leukotriene A4 hydrolase in complex with {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
1J7C
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BU of 1j7c by Molmil
STRUCTURE OF THE ANABAENA FERREDOXIN MUTANT E95K
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
Authors:Hurley, J.K, Weber-Main, A.M, Stankovich, M.T, Benning, M.M, Thoden, J.B, Vanhooke, J.L, Holden, H.M, Chae, Y.K, Xia, B, Cheng, H, Markley, J.L, Martinez-Julvez, M, Gomez-Moreno, C, Schmeits, J.L, Tollin, G.
Deposit date:2001-05-16
Release date:2001-05-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-function relationships in Anabaena ferredoxin: correlations between X-ray crystal structures, reduction potentials, and rate constants of electron transfer to ferredoxin:NADP+ reductase for site-specific ferredoxin mutants.
Biochemistry, 36, 1997
1IW9
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BU of 1iw9 by Molmil
Crystal Structure of the M Intermediate of Bacteriorhodopsin
Descriptor: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ...
Authors:Takeda, K, Matsui, Y, Kamiya, N, Adachi, S, Okumura, H, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-04-25
Release date:2003-12-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the M intermediate of bacteriorhodopsin: allosteric structural changes mediated by sliding movement of a transmembrane helix
J.Mol.Biol., 341, 2004
8DY7
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BU of 8dy7 by Molmil
Streptomyces venezuelae RNAP transcription open promoter complex with WhiA and WhiB transcription factors
Descriptor: DNA (71-MER), DNA (78-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lilic, M, Campbell, E.A.
Deposit date:2022-08-03
Release date:2023-03-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis of dual activation of cell division by the actinobacterial transcription factors WhiA and WhiB.
Proc.Natl.Acad.Sci.USA, 120, 2023
5TPU
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BU of 5tpu by Molmil
x-ray structure of the WlaRB TDP-quinovose 3,4-ketoisomerase from campylobacter jejuni
Descriptor: CHLORIDE ION, Putative uncharacterized protein, THYMIDINE-5'-DIPHOSPHATE
Authors:Holden, H.M, Thoden, J.B, Li, J.Z, Riegert, A.S, Goneau, M.-F, Cunningham, A.M, Vinogradov, E, Schoenhofen, I.C, Gilbert, M.
Deposit date:2016-10-21
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the dTDP-Fuc3N and dTDP-Qui3N biosynthetic pathways in Campylobacter jejuni 81116.
Glycobiology, 27, 2017
8DY9
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BU of 8dy9 by Molmil
Streptomyces venezuelae RNAP unconstrained open promoter complex with WhiA and WhiB transcription factors
Descriptor: DNA (38-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Lilic, M, Campbell, E.A.
Deposit date:2022-08-03
Release date:2023-03-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural basis of dual activation of cell division by the actinobacterial transcription factors WhiA and WhiB.
Proc.Natl.Acad.Sci.USA, 120, 2023
8APU
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BU of 8apu by Molmil
Crystal Structure of H. influenzae TrmD in complex with Compound 14
Descriptor: 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase
Authors:Hall, G, Cowan, R, Carr, M.D.
Deposit date:2022-08-10
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
4B83
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BU of 4b83 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-methoxy-benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
8APT
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BU of 8apt by Molmil
Crystal Structure of H. influenzae TrmD in complex with Compound 13
Descriptor: 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase
Authors:Hall, G, Cowan, R, Carr, M.D.
Deposit date:2022-08-10
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
8APV
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BU of 8apv by Molmil
Crystal Structure of H. influenzae TrmD in complex with Compound 27
Descriptor: 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase
Authors:Hall, G, Cowan, R, Carr, M.D.
Deposit date:2022-08-10
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
8APW
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BU of 8apw by Molmil
Crystal Structure of H. influenzae TrmD in complex with Compound 30
Descriptor: 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase
Authors:Hall, G, Cowan, R, Carr, M.D.
Deposit date:2022-08-10
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
3FTW
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BU of 3ftw by Molmil
Leukotriene A4 hydrolase in complex with fragments N-(pyridin-3-ylmethyl)aniline and acetate
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009

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数据于2024-09-11公开中

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