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1E7W
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BU of 1e7w by Molmil
One active site, two modes of reduction correlate the mechanism of leishmania pteridine reductase with pterin metabolism and antifolate drug resistance in trpanosomes
Descriptor: 1,2-ETHANEDIOL, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Gourley, D.G, Hunter, W.N.
Deposit date:2000-09-11
Release date:2001-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites.
Nat.Struct.Biol., 8, 2001
1EAG
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BU of 1eag by Molmil
Secreted aspartic proteinase (SAP2) from Candida albicans complexed with A70450
Descriptor: ASPARTIC PROTEINASE (SAP2 GENE PRODUCT), N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-L-norleucinamide
Authors:Cutfield, J.F, Cutfield, S.M.
Deposit date:1996-05-31
Release date:1996-12-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of a major secreted aspartic proteinase from Candida albicans in complexes with two inhibitors.
Structure, 3, 1995
5LP6
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Crystal structure of Tubulin-Stathmin-TTL-Thiocolchicine Complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Marangon, J, Christodoulou, M, Casagrande, F, Tiana, G, Dalla Via, L, Aliverti, A, Passarella, D, Cappelletti, G, Ricagno, S.
Deposit date:2016-08-11
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Tools for the rational design of bivalent microtubule-targeting drugs.
Biochem. Biophys. Res. Commun., 479, 2016
5LX7
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Cys-Gly dipeptidase GliJ mutant D38N
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dipeptidase, FE (III) ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2016-09-20
Release date:2017-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
7RW3
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BU of 7rw3 by Molmil
E. coli cysteine desulfurase SufS N99D
Descriptor: Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE
Authors:Dunkle, J.A, Gogar, R, Frantom, P.A.
Deposit date:2021-08-19
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The beta-latch structural element of the SufS cysteine desulfurase mediates active site accessibility and SufE transpersulfurase positioning.
J.Biol.Chem., 299, 2023
1EB4
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BU of 1eb4 by Molmil
Histidine Ammonia-Lyase (HAL) Mutant F329A from Pseudomonas putida
Descriptor: GLYCEROL, HISTIDINE AMMONIA-LYASE, SULFATE ION
Authors:Baedeker, M, Schulz, G.E.
Deposit date:2001-07-19
Release date:2002-02-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Autocatalytic Peptide Cyclization During Chain Folding of Histidine Ammonia-Lyase.
Structure, 10, 2002
5LY7
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BU of 5ly7 by Molmil
Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
Descriptor: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-09-25
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
9G7A
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BU of 9g7a by Molmil
CryoEM structure of human rho1 GABAA receptor in complex with loreclezole
Descriptor: 1-[(~{Z})-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Fan, C, Howard, R.J, Lindahl, E.
Deposit date:2024-07-20
Release date:2025-07-30
Method:ELECTRON MICROSCOPY (2.12 Å)
Cite:CryoEM structure of human rho1 GABAA receptor in complex with neurosteroid
To be published
1EBO
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BU of 1ebo by Molmil
CRYSTAL STRUCTURE OF THE EBOLA VIRUS MEMBRANE-FUSION SUBUNIT, GP2, FROM THE ENVELOPE GLYCOPROTEIN ECTODOMAIN
Descriptor: CHLORIDE ION, EBOLA VIRUS ENVELOPE PROTEIN CHIMERA CONSISTING OF A FRAGMENT OF GCN4 ZIPPER CLONED N-TERMINAL TO A FRAGMENT OF GP2, ZINC ION
Authors:Weissenhorn, W, Carfi, A, Lee, K.H, Skehel, J.J, Wiley, D.C.
Deposit date:1998-11-03
Release date:1999-07-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the Ebola virus membrane fusion subunit, GP2, from the envelope glycoprotein ectodomain.
Mol.Cell, 2, 1998
1EC4
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BU of 1ec4 by Molmil
SOLUTION STRUCTURE OF A HEXITOL NUCLEIC ACID DUPLEX WITH FOUR CONSECUTIVE T:T BASE PAIRS
Descriptor: HEXITOL DODECANUCLEOTIDE
Authors:Lescrinier, E, Esnouf, R.M, Schraml, J, Busson, R, Herdewijn, P.
Deposit date:2000-01-25
Release date:2003-04-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a HNA-RNA hybrid
Chem.Biol., 7, 2000
5LPN
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BU of 5lpn by Molmil
Structure of human Rab10 in complex with the bMERB domain of Mical-1
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein-methionine sulfoxide oxidase MICAL1, ...
Authors:Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M.
Deposit date:2016-08-14
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
1ECW
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BU of 1ecw by Molmil
CRYSTAL STRUCTURE OF SIMIAN IMMUNODEFICIENCY VIRUS MATRIX ANTIGEN (SIV MA) AT 293K.
Descriptor: GAG POLYPROTEIN, ISOPROPYL ALCOHOL
Authors:Rao, Z, Belyaev, A, Fry, E, Roy, P, Jones, I.M, Stuart, D.I.
Deposit date:2000-01-26
Release date:2000-02-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SIV matrix antigen and implications for virus assembly.
Nature, 378, 1995
1ED1
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BU of 1ed1 by Molmil
CRYSTAL STRUCTURE OF SIMIAN IMMUNODEFICIENCY VIRUS MATRIX ANTIGEN (SIV MA) AT 100K.
Descriptor: GAG POLYPROTEIN, ISOPROPYL ALCOHOL
Authors:Rao, Z, Belyaev, A, Fry, E, Roy, P, Jones, I.M, Stuart, D.I.
Deposit date:2000-01-26
Release date:2000-02-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of SIV matrix antigen and implications for virus assembly.
Nature, 378, 1995
5LZ9
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BU of 5lz9 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Descriptor: 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
Authors:Woolford, A, Day, P.
Deposit date:2016-09-29
Release date:2016-12-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
1ED8
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BU of 1ed8 by Molmil
STRUCTURE OF E. COLI ALKALINE PHOSPHATASE INHIBITED BY THE INORGANIC PHOSPHATE AT 1.75A RESOLUTION
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Stec, B, Holtz, K.M, Kantrowitz, E.R.
Deposit date:2000-01-27
Release date:2000-09-20
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A revised mechanism for the alkaline phosphatase reaction involving three metal ions.
J.Mol.Biol., 299, 2000
5LZN
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BU of 5lzn by Molmil
-TIP microtubule-binding domain
Descriptor: Calmodulin-regulated spectrin-associated protein 3
Authors:Stangier, M.M, Steinmetz, M.O.
Deposit date:2016-09-30
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A structural model for microtubule minus-end recognition and protection by CAMSAP proteins.
Nat. Struct. Mol. Biol., 24, 2017
1EE4
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BU of 1ee4 by Molmil
CRYSTAL STRUCTURE OF YEAST KARYOPHERIN (IMPORTIN) ALPHA IN A COMPLEX WITH A C-MYC NLS PEPTIDE
Descriptor: KARYOPHERIN ALPHA, MYC PROTO-ONCOGENE PROTEIN
Authors:Conti, E.
Deposit date:2000-01-30
Release date:2000-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic analysis of the specific yet versatile recognition of distinct nuclear localization signals by karyopherin alpha.
Structure Fold.Des., 8, 2000
1EEY
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BU of 1eey by Molmil
Crystal Structure Determination Of HLA A2 Complexed to Peptide GP2 with the substitution (I2L/V5L/L9V)
Descriptor: BETA-2-MICROGLOBULIN (LIGHT CHAIN), GP2 PEPTIDE, HLA-A2.1 MHC CLASS I (HEAVY CHAIN)
Authors:Sharma, A.K, Kuhns, J.J, Collins, E.J.
Deposit date:2000-02-04
Release date:2003-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Class I major histocompatibility complex anchor substitutions alter the conformation of T cell receptor contacts.
J.Biol.Chem., 276, 2001
5LRN
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BU of 5lrn by Molmil
Structure of mono-zinc MCR-1 in P21 space group
Descriptor: GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Hinchliffe, P, Paterson, N.G, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
7RRN
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BU of 7rrn by Molmil
E. coli cysteine desulfurase SufS R56A
Descriptor: CHLORIDE ION, Cysteine desulfurase
Authors:Dunkle, J.A, Gogar, R, Frantom, P.A.
Deposit date:2021-08-10
Release date:2023-01-18
Last modified:2025-06-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Role for Two Conserved Arginine Residues in Protected Persulfide Transfer by SufE-Dependent SufS Cysteine Desulfurases.
Biochemistry, 2025
5LS0
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BU of 5ls0 by Molmil
Crystal structure of Inorganic Pyrophosphatase PPA1 from Arabidopsis thaliana
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Soluble inorganic pyrophosphatase 1
Authors:Grzechowiak, M, Sikorski, M, Jaskolski, M.
Deposit date:2016-08-22
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity.
Biochem.J., 476, 2019
5LZP
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BU of 5lzp by Molmil
Binding of the C-terminal GQYL motif of the bacterial proteasome activator Bpa to the 20S proteasome
Descriptor: Bacterial proteasome activator, Proteasome subunit alpha, Proteasome subunit beta
Authors:Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E.
Deposit date:2016-09-30
Release date:2016-11-23
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome.
Structure, 24, 2016
1EGH
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BU of 1egh by Molmil
STRUCTURE OF METHYLGLYOXAL SYNTHASE COMPLEXED WITH THE COMPETITIVE INHIBITOR 2-PHOSPHOGLYCOLATE
Descriptor: 2-PHOSPHOGLYCOLIC ACID, METHYLGLYOXAL SYNTHASE
Authors:Saadat, D, Harrison, D.H.T.
Deposit date:2000-02-15
Release date:2000-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mirroring perfection: the structure of methylglyoxal synthase complexed with the competitive inhibitor 2-phosphoglycolate.
Biochemistry, 39, 2000
1EGW
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BU of 1egw by Molmil
CRYSTAL STRUCTURE OF MEF2A CORE BOUND TO DNA
Descriptor: DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3'), MADS BOX TRANSCRIPTION ENHANCER FACTOR 2, ...
Authors:Santelli, E, Richmond, T.J.
Deposit date:2000-02-17
Release date:2000-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of MEF2A core bound to DNA at 1.5 A resolution.
J.Mol.Biol., 297, 2000
5M00
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Crystal structure of murine P14 TCR complex with H-2Db and Y4A, modified gp33 peptide from LCMV
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Achour, A, Sandalova, T, Sun, R, Han, X.
Deposit date:2016-10-03
Release date:2017-12-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To Be Published

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