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4P0S
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BU of 4p0s by Molmil
human Mus81-Eme1-3'flap DNA complex
Descriptor: Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, DNA GAATGTGTGTCT, ...
Authors:Gwon, G.H, Baek, K, Cho, Y.
Deposit date:2014-02-22
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (6 Å)
Cite:Crystal structures of the structure-selective nuclease Mus81-Eme1 bound to flap DNA substrates.
Embo J., 33, 2014
1NAZ
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BU of 1naz by Molmil
structure of microgravity-grown oxidized myoglobin mutant YQR (ISS8A)
Descriptor: HYDROXIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Miele, A.E, Federici, L, Sciara, G, Draghi, F, Brunori, M, Vallone, B.
Deposit date:2002-11-30
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Analysis of the effect of microgravity on protein crystal quality: the case of a myoglobin triple mutant.
Acta Crystallogr.,Sect.D, 59, 2003
4P1E
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BU of 4p1e by Molmil
Crystal structure of a trap periplasmic solute binding protein from escherichia fergusonii (efer_1530), target EFI-510119, apo open structure, phased with iodide
Descriptor: IODIDE ION, TRAP dicarboxylate transporter, DctP subunit
Authors:Vetting, M.W, Al Obaidi, N.F, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-02-26
Release date:2014-03-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
1N6D
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BU of 1n6d by Molmil
Tricorn protease in complex with tetrapeptide chloromethyl ketone derivative
Descriptor: DECANE, RVRK, Tricorn protease
Authors:Kim, J.-S, Groll, M, Huber, R, Brandstetter, H.
Deposit date:2002-11-10
Release date:2002-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease from Thermoplasma acidophilum
J.Mol.Biol., 324, 2002
4P1M
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BU of 4p1m by Molmil
The structure of Escherichia coli ZapA
Descriptor: CHLORIDE ION, Cell division protein ZapA
Authors:Kimber, M.S, Roach, E.J, Khursigara, C.M.
Deposit date:2014-02-26
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure and Site-directed Mutational Analysis Reveals Key Residues Involved in Escherichia coli ZapA Function.
J.Biol.Chem., 289, 2014
1NBZ
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BU of 1nbz by Molmil
Crystal Structure of HyHEL-63 complexed with HEL mutant K97A
Descriptor: Lysozyme C, antibody kappa light chain, immunoglobulin gamma 1 chain
Authors:Mariuzza, R.A, Li, Y, Urrutia, M, Smith-Gill, S.J.
Deposit date:2002-12-04
Release date:2003-04-01
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dissection of binding interactions in the complex between the anti-lysozyme antibody HyHEL-63 and its antigen
Biochemistry, 42, 2003
4P1N
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BU of 4p1n by Molmil
Crystal structure of Atg1-Atg13 complex
Descriptor: Atg1 tMIT, Atg13 MIM
Authors:Fujioka, Y, Noda, N.N.
Deposit date:2014-02-27
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of starvation-induced assembly of the autophagy initiation complex.
Nat.Struct.Mol.Biol., 21, 2014
1N8B
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BU of 1n8b by Molmil
Bacteriophage T4 baseplate structural protein gp8
Descriptor: BROMIDE ION, baseplate structural protein gp8
Authors:Leiman, P.G, Shneider, M.M, Kostyuchenko, V.A, Chipman, P.R, Mesyanzhinov, V.V, Rossmann, M.G.
Deposit date:2002-11-20
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and location of gene product 8 in the bacteriophage T4 baseplate
J.Mol.Biol., 328, 2003
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2014-02-27
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
1N94
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BU of 1n94 by Molmil
Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates
Descriptor: 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
Authors:Gwaltney II, S.L, O'Connor, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
Deposit date:2002-11-22
Release date:2003-01-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
4P25
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BU of 4p25 by Molmil
Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA.
Descriptor: Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
Deposit date:2014-03-01
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4991 Å)
Cite:Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
1NCB
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BU of 1ncb by Molmil
CRYSTAL STRUCTURES OF TWO MUTANT NEURAMINIDASE-ANTIBODY COMPLEXES WITH AMINO ACID SUBSTITUTIONS IN THE INTERFACE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tulip, W.R, Varghese, J.N, Colman, P.M.
Deposit date:1992-01-21
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of two mutant neuraminidase-antibody complexes with amino acid substitutions in the interface.
J.Mol.Biol., 227, 1992
4P12
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BU of 4p12 by Molmil
Native Structure of the P domain from a GI.7 Norovirus variant.
Descriptor: Major capsid protein
Authors:Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V.
Deposit date:2014-02-24
Release date:2014-04-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6011 Å)
Cite:Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses.
J.Virol., 88, 2014
1ND4
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BU of 1nd4 by Molmil
Crystal structure of aminoglycoside-3'-phosphotransferase-IIa
Descriptor: ACETATE ION, Aminoglycoside 3'-phosphotransferase, KANAMYCIN A, ...
Authors:Nurizzo, D, Shewry, S.C, Baker, E.N, Smith, C.A.
Deposit date:2002-12-06
Release date:2003-09-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of aminoglycoside-3'-phosphotransferase-IIa, an enzyme responsible for antibiotic resistance
J.Mol.Biol., 327, 2003
4P2H
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BU of 4p2h by Molmil
Structure of human DNA polymerase complexed with N7MG in the template opposite to incoming non-hydrolyzable TTP with manganese in the active site
Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(FMG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Lee, S, Koag, M.C.
Deposit date:2014-03-04
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:Transition-state destabilization reveals how human DNA polymerase beta proceeds across the chemically unstable lesion N7-methylguanine.
Nucleic Acids Res., 42, 2014
1N9H
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BU of 1n9h by Molmil
structure of microgravity-grown oxidized myoglobin mutant YQR (ISS6A)
Descriptor: HYDROXIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Miele, A.E, Sciara, G, Federici, L, Vallone, B, Brunori, M.
Deposit date:2002-11-25
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of the effect of microgravity on protein crystal quality: the case of a myoglobin triple mutant.
Acta Crystallogr.,Sect.D, 59, 2003
6MNP
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BU of 6mnp by Molmil
Crystal structure of KPC-2 with compound 6
Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-10-02
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
1NDE
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BU of 1nde by Molmil
Estrogen Receptor beta with Selective Triazine Modulator
Descriptor: 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta
Authors:Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H.
Deposit date:2002-12-09
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta
J.Med.Chem., 45, 2002
4P2C
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BU of 4p2c by Molmil
Complex of Shiga toxin 2e with a neutralizing single-domain antibody
Descriptor: Nanobody 1, Anti-F4+ETEC bacteria VHH variable region, Shiga toxin 2e, ...
Authors:Lo, A.W.H, Moonens, K, De Kerpel, M, Brys, L, Pardon, E, Remaut, H, De Greve, H.
Deposit date:2014-03-03
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.818 Å)
Cite:The Molecular Mechanism of Shiga Toxin Stx2e Neutralization by a Single-domain Antibody Targeting the Cell Receptor-binding Domain.
J.Biol.Chem., 289, 2014
1NDW
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BU of 1ndw by Molmil
Crystal Structure of Adenosine Deaminase Complexed with FR221647
Descriptor: 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2002-12-09
Release date:2003-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
4P2S
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BU of 4p2s by Molmil
Alanine Scanning Mutagenesis Identifies an Asparagine-Arginine-Lysine Triad Essential to Assembly of the Shell of the Pdu Microcompartment
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Putative propanediol utilization protein PduA, ...
Authors:Sinha, S, Cheng, S, Sung, Y.W, McNamara, D.E, Sawaya, M.R, Yeates, T.O, Bobik, T.A.
Deposit date:2014-03-03
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Alanine Scanning Mutagenesis Identifies an Asparagine-Arginine-Lysine Triad Essential to Assembly of the Shell of the Pdu Microcompartment.
J.Mol.Biol., 426, 2014
1NED
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BU of 1ned by Molmil
CRYSTAL STRUCTURE OF HSLV (CLPQ) AT 3.8 ANGSTROMS RESOLUTION
Descriptor: HSLV
Authors:Bochtler, M, Ditzel, L, Groll, M, Huber, R.
Deposit date:1997-04-04
Release date:1998-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of heat shock locus V (HslV) from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 94, 1997
4P2V
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BU of 4p2v by Molmil
Structure of the AI-2 processing enzyme LsrF in complex with the product of the LsrG reaction P-HPD
Descriptor: (3R)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate, Uncharacterized aldolase LsrF
Authors:Miller, S.T, Oh, I.K, Xavier, K.B.
Deposit date:2014-03-04
Release date:2014-09-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:LsrF, a coenzyme A-dependent thiolase, catalyzes the terminal step in processing the quorum sensing signal autoinducer-2.
Proc.Natl.Acad.Sci.USA, 111, 2014
1N9O
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BU of 1n9o by Molmil
Crystal structure of the Phot-LOV1 domain from Chlamydomonas reinhardtii in illuminated state. Composite data set.
Descriptor: FLAVIN MONONUCLEOTIDE, SULFATE ION, putative blue light receptor
Authors:Fedorov, R, Schlichting, I, Hartmann, E, Domratcheva, T, Fuhrmann, M, Hegemann, P.
Deposit date:2002-11-25
Release date:2003-06-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures and molecular mechanism of a light-induced signaling switch: The Phot-LOV1 domain from Chlamydomonas reinhardtii.
Biophys.J., 84, 2003
4P0Z
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BU of 4p0z by Molmil
Structure of the double stranded DNA binding type IV secretion protein TraN from Enterococcus
Descriptor: AM32
Authors:Goessweiner-mohr, N, Fercher, C, Keller, W.
Deposit date:2014-02-23
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of the double-stranded DNA-binding type IV secretion protein TraN from Enterococcus.
Acta Crystallogr.,Sect.D, 70, 2014

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