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1RA5
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BU of 1ra5 by Molmil
Bacterial cytosine deaminase D314A mutant bound to 5-fluoro-4-(S)-hydroxyl-3,4-dihydropyrimidine.
Descriptor: (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE, Cytosine deaminase, FE (III) ION, ...
Authors:Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E.
Deposit date:2003-10-31
Release date:2004-10-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
5B62
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BU of 5b62 by Molmil
Crystal structure of N-terminal amidase with Asn-Glu-Ala peptide
Descriptor: ASN-GLU-ALA, Nta1p
Authors:Kim, M.K, Oh, S.-J, Lee, B.-G, Song, H.K.
Deposit date:2016-05-24
Release date:2017-01-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.042 Å)
Cite:Structural basis for dual specificity of yeast N-terminal amidase in the N-end rule pathway.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4L21
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BU of 4l21 by Molmil
Crystal structure of Cimex nitrophorin F64V mutant ferrous NO complex
Descriptor: NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Salivary nitrophorin
Authors:Badgandi, H.B, Weichsel, A, Montfort, W.R.
Deposit date:2013-06-04
Release date:2014-06-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Proximal Cysteine Protonation in Cimex Nitrophorin is key to efficient NO transport and release.
To be Published
2NQ6
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BU of 2nq6 by Molmil
Crystal structure of human methionine aminopeptidase type 1 in complex with 3-tert-Butoxycarbonylaminopyridine-2-carboxylic acid thiazole-2-ylamide
Descriptor: CALCIUM ION, COBALT (II) ION, GLYCEROL, ...
Authors:Addlagatta, A, Matthews, B.W.
Deposit date:2006-10-30
Release date:2006-11-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elucidation of the function of type 1 human methionine aminopeptidase during cell cycle progression.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2NQG
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BU of 2nqg by Molmil
Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor.
Descriptor: 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit
Authors:Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T.
Deposit date:2006-10-31
Release date:2007-01-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
6XGT
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BU of 6xgt by Molmil
Crystal structure of cyanase from the thermophilic fungus Thermomyces lanuginosus
Descriptor: Cyanate hydratase, FORMIC ACID, MALONATE ION
Authors:Choi, P.H, Ranjan, B, Tong, L.
Deposit date:2020-06-18
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a thermophilic fungal cyanase and its implications on the catalytic mechanism for bioremediation.
Sci Rep, 11, 2021
1RQ1
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BU of 1rq1 by Molmil
Structure of Ero1p, Source of Disulfide Bonds for Oxidative Protein Folding in the Cell
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, CADMIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Gross, E, Kastner, D.B, Kaiser, C.A, Fass, D.
Deposit date:2003-12-04
Release date:2004-06-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of ero1p, source of disulfide bonds for oxidative protein folding in the cell.
Cell(Cambridge,Mass.), 117, 2004
4KOA
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BU of 4koa by Molmil
Crystal Structure Analysis of 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti
Descriptor: 1,5-anhydro-D-fructose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Schu, M, Faust, A, Stosik, B, Kohring, G.-W, Giffhorn, F, Scheidig, A.J.
Deposit date:2013-05-11
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structure of substrate-free 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti 1021 reveals an open enzyme conformation.
Acta Crystallogr.,Sect.F, 69, 2013
2OF4
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BU of 2of4 by Molmil
crystal structure of furanopyrimidine 1 bound to lck
Descriptor: 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK
Authors:Martin, M.W.
Deposit date:2007-01-02
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 17, 2007
6VM5
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BU of 6vm5 by Molmil
Structure of Moraxella osloensis Cap4 SAVED/CARF-domain containing receptor
Descriptor: MAGNESIUM ION, SAVED domain-containing protein
Authors:Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J.
Deposit date:2020-01-27
Release date:2020-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.
Cell, 182, 2020
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
Descriptor: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
Authors:Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
Deposit date:2020-06-25
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
6VMA
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BU of 6vma by Molmil
T4H2 T cell receptor bound to HLA-A2 presenting gp100 peptide (ITDQVPFSV)
Descriptor: Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ...
Authors:Smith, A.R, Baker, B.M.
Deposit date:2020-01-27
Release date:2021-01-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structurally silent peptide anchor modifications allosterically modulate T cell recognition in a receptor-dependent manner
Proc.Natl.Acad.Sci.USA, 118, 2021
4U7F
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BU of 4u7f by Molmil
Reduced quinone reductase 2 in complex with CK2 inhibitor DMAT
Descriptor: 4,5,6,7-TETRABROMO-N,N-DIMETHYL-1H-BENZIMIDAZOL-2-AMINE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Leung, K.K, Shilton, B.H.
Deposit date:2014-07-30
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Quinone Reductase 2 Is an Adventitious Target of Protein Kinase CK2 Inhibitors TBBz (TBI) and DMAT.
Biochemistry, 54, 2015
1ROE
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BU of 1roe by Molmil
NMR STUDY OF 2FE-2S FERREDOXIN OF SYNECHOCOCCUS ELONGATUS
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN
Authors:Roesch, P, Baumann, B, Sticht, H, Sutter, M, Haehnel, W.
Deposit date:1995-11-24
Release date:1996-06-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of Synechococcus elongatus [Fe2S2] ferredoxin in solution.
Biochemistry, 35, 1996
5AOP
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BU of 5aop by Molmil
SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1
Descriptor: IRON/SULFUR CLUSTER, POTASSIUM ION, SIROHEME, ...
Authors:Crane, B.R, Getzoff, E.D.
Deposit date:1997-07-10
Release date:1998-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange.
Biochemistry, 36, 1997
4KEI
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BU of 4kei by Molmil
Crystal structure of mouse Ryanodine Receptor 2 (1-217) disease mutant P164S
Descriptor: Ryanodine receptor 2
Authors:Kimlicka, L, Van Petegem, F.
Deposit date:2013-04-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic alpha-Helix That Transitions to a beta-Strand in a Mutant Linked with a Heritable Cardiomyopathy.
J.Mol.Biol., 425, 2013
8P9O
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BU of 8p9o by Molmil
PCNA from Chaetomium thermophilum in complex with PolD3 peptide
Descriptor: Proliferating cell nuclear antigen, Synthetic peptide corresponding to amino acids 437 to 451 of PolD3 from Chaetomium thermophilum
Authors:Alphey, M.S, Wolford, C.B, MacNeill, S.A.
Deposit date:2023-06-06
Release date:2023-12-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Canonical binding of Chaetomium thermophilum DNA polymerase delta / zeta subunit PolD3 and flap endonuclease Fen1 to PCNA.
Front Mol Biosci, 10, 2023
4KFA
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BU of 4kfa by Molmil
Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
Descriptor: 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L.
Deposit date:2013-04-26
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
To be Published
2NTS
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BU of 2nts by Molmil
Crystal Structure of SEK-hVb5.1
Descriptor: Staphylococcal enterotoxin K, TRBC1 protein
Authors:Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J.
Deposit date:2006-11-08
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel loop domain in superantigens extends their T cell receptor recognition site
J.Mol.Biol., 371, 2007
1RRC
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BU of 1rrc by Molmil
T4 POLYNUCLEOTIDE KINASE BOUND TO 5'-GTC-3' SSDNA
Descriptor: 5'-D(*GP*TP*C)-3', ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Eastberg, J.H, Pelletier, J, Stoddard, B.L.
Deposit date:2003-12-08
Release date:2004-02-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Recognition of DNA substrates by T4 bacteriophage polynucleotide kinase.
Nucleic Acids Res., 32, 2004
6VVR
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BU of 6vvr by Molmil
Q0 fused 4-OT wild type symmetric trimer
Descriptor: Tautomerase
Authors:Medellin, B.P, Whitman, C.P, Zhang, Y.J.
Deposit date:2020-02-18
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for the Asymmetry of a 4-Oxalocrotonate Tautomerase Trimer.
Biochemistry, 59, 2020
1RK3
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BU of 1rk3 by Molmil
crystal structure of the rat vitamin D receptor ligand binding domain complexed with 1,25-dihydroxyvitamin D3 and a synthetic peptide containing the NR2 box of DRIP 205
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Peroxisome proliferator-activated receptor binding protein, Vitamin D3 receptor
Authors:Vanhooke, J.L, M Benning, M, Bauer, C.B, Pike, J.W, DeLuca, H.F.
Deposit date:2003-11-20
Release date:2004-04-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular Structure of the Rat Vitamin D Receptor Ligand Binding Domain Complexed with 2-Carbon-Substituted Vitamin D(3) Hormone Analogues and a LXXLL-Containing Coactivator Peptide
Biochemistry, 43, 2004
4KIV
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BU of 4kiv by Molmil
RECOMBINANT KRINGLE IV-10/W72R MUTANT OF HUMAN APOLIPOPROTEIN(A)
Descriptor: APOLIPOPROTEIN
Authors:Mochalkin, I, Tulinsky, A, Scanu, A.
Deposit date:1998-08-26
Release date:1999-05-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance.
Biochemistry, 38, 1999
8FBZ
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BU of 8fbz by Molmil
Crystal Structure of apo human Glutathione Synthetase Y270E
Descriptor: GLYCEROL, Glutathione synthetase, SULFATE ION
Authors:Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N.
Deposit date:2022-11-30
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy.
Sci Adv, 10, 2024
1RN8
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BU of 1rn8 by Molmil
Crystal structure of dUTPase complexed with substrate analogue imido-dUTP
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Barabas, O, Pongracz, V, Kovari, J, Wilmanns, M, Vertessy, B.G.
Deposit date:2003-12-01
Release date:2004-09-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Insights into the Catalytic Mechanism of Phosphate Ester Hydrolysis by dUTPase.
J.Biol.Chem., 279, 2004

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