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5O04
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BU of 5o04 by Molmil
GII.10 Vietnam 026 norovirus protruding domain in complex with Nanobody Nano-26 and Nano-85
Descriptor: 1,2-ETHANEDIOL, Capsid protein, Nanobody (VHH) Nano-26, ...
Authors:Koromyslova, A.D, Hansman, A.D.
Deposit date:2017-05-16
Release date:2017-10-04
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nanobodies targeting norovirus capsid reveal functional epitopes and potential mechanisms of neutralization.
PLoS Pathog., 13, 2017
1BH5
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BU of 1bh5 by Molmil
HUMAN GLYOXALASE I Q33E, E172Q DOUBLE MUTANT
Descriptor: LACTOYLGLUTATHIONE LYASE, S-HEXYLGLUTATHIONE, ZINC ION
Authors:Cameron, A.D, Jones, T.A.
Deposit date:1998-06-13
Release date:1998-11-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Involvement of an active-site Zn2+ ligand in the catalytic mechanism of human glyoxalase I.
J.Biol.Chem., 273, 1998
5O05
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BU of 5o05 by Molmil
GII.10 Vietnam 026 norovirus protruding domain in complex with Nanobody Nano-42
Descriptor: 1,2-ETHANEDIOL, Capsid protein, Nanobody (VHH) Nano-42
Authors:Koromyslova, A.D, Hansman, G.S.
Deposit date:2017-05-16
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nanobodies targeting norovirus capsid reveal functional epitopes and potential mechanisms of neutralization.
PLoS Pathog., 13, 2017
5O02
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BU of 5o02 by Molmil
GII.17 Kawasaki323 protruding domain in complex with Nanobody Nano-4
Descriptor: 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE, ...
Authors:Koromyslova, A.D, Hansman, G.S.
Deposit date:2017-05-16
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Nanobodies targeting norovirus capsid reveal functional epitopes and potential mechanisms of neutralization.
PLoS Pathog., 13, 2017
5O03
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BU of 5o03 by Molmil
GII.10 Vietnam 026 protruding domain in complex with Nanobody Nano-32
Descriptor: 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE, ...
Authors:Koromyslova, A.D, Hansman, G.H.
Deposit date:2017-05-16
Release date:2017-10-04
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Nanobodies targeting norovirus capsid reveal functional epitopes and potential mechanisms of neutralization.
PLoS Pathog., 13, 2017
5OMN
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BU of 5omn by Molmil
GII.10 Vietnam 026 protruding domain in complex with Nanobody Nano-27
Descriptor: Capsid protein, Nanobody (VHH) Nano-27
Authors:Koromyslova, A.D, Hansman, G.S.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:Nanobodies targeting norovirus capsid reveal functional epitopes and potential mechanisms of neutralization.
PLoS Pathog., 13, 2017
5OMM
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BU of 5omm by Molmil
GII.10 Vietnam 026 protruding domain in complex with Nanobody Nano-14
Descriptor: 1,2-ETHANEDIOL, Capsid protein, Nanobody (VHH) Nano-14
Authors:Koromyslova, A.D, Hansman, G.S.
Deposit date:2017-08-01
Release date:2017-10-04
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nanobodies targeting norovirus capsid reveal functional epitopes and potential mechanisms of neutralization.
PLoS Pathog., 13, 2017
8OV6
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BU of 8ov6 by Molmil
Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB
Descriptor: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ...
Authors:Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A.
Deposit date:2023-04-25
Release date:2023-05-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Targeted protein degradation via intramolecular bivalent glues.
Nature, 627, 2024
1FI1
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BU of 1fi1 by Molmil
FhuA in complex with lipopolysaccharide and rifamycin CGP4832
Descriptor: 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ...
Authors:Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W.
Deposit date:2000-08-03
Release date:2001-08-29
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA.
Structure, 9, 2001
1BDN
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BU of 1bdn by Molmil
CRYSTAL LATTICE PACKING IS IMPORTANT IN DETERMINING THE BEND OF A DNA DODECAMER CONTAINING AN ADENINE TRACT
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*TP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:DiGabriele, A.D, Sanderson, M.R, Steitz, T.A.
Deposit date:1989-07-25
Release date:1991-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal lattice packing is important in determining the bend of a DNA dodecamer containing an adenine tract.
Proc.Natl.Acad.Sci.USA, 86, 1989
4UX6
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BU of 4ux6 by Molmil
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ...
Authors:Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V.
Deposit date:2014-08-19
Release date:2014-10-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
1B8Y
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BU of 1b8y by Molmil
X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXED WITH NON-PEPTIDE INHIBITORS: IMPLICATIONS FOR INHIBITOR SELECTIVITY
Descriptor: CALCIUM ION, PROTEIN (STROMELYSIN-1), SULFATE ION, ...
Authors:Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L.
Deposit date:1999-02-03
Release date:1999-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity.
Protein Sci., 8, 1999
1BXK
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BU of 1bxk by Molmil
DTDP-GLUCOSE 4,6-DEHYDRATASE FROM E. COLI
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (DTDP-GLUCOSE 4,6-DEHYDRATASE)
Authors:Thoden, J.B, Hegeman, A.D, Frey, P.A, Holden, H.M.
Deposit date:1998-10-05
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Structure of Dtdp-Glucose 4,6-Dehydratase from E. Coli
Protein Sci.
4WIB
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BU of 4wib by Molmil
Crystal structure of Magnesium transporter MgtE
Descriptor: CALCIUM ION, Magnesium transporter MgtE
Authors:Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O.
Deposit date:2014-09-25
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE
Nat Commun, 5, 2014
4WEJ
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BU of 4wej by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
Descriptor: (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
Authors:Ferguson, A.D.
Deposit date:2014-09-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.045 Å)
Cite:SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
1BWS
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BU of 1bws by Molmil
CRYSTAL STRUCTURE OF GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE FROM ESCHERICHIA COLI A KEY ENZYME IN THE BIOSYNTHESIS OF GDP-L-FUCOSE
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GDP-4-KETO-6-DEOXY-D-MANNOSE EPIMERASE/REDUCTASE)
Authors:Rizzi, M, Tonetti, M, Flora, A.D, Bolognesi, M.
Deposit date:1998-09-25
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:GDP-4-keto-6-deoxy-D-mannose epimerase/reductase from Escherichia coli, a key enzyme in the biosynthesis of GDP-L-fucose, displays the structural characteristics of the RED protein homology superfamily.
Structure, 6, 1998
4WHA
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BU of 4wha by Molmil
Lipoxygenase-1 (soybean) L546A/L754A mutant
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, FE (III) ION, ...
Authors:Scouras, A.D, Carr, C.A.M, Hu, S, Klinman, J.P.
Deposit date:2014-09-21
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation.
J.Am.Chem.Soc., 136, 2014
4WEL
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BU of 4wel by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176
Descriptor: (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
Authors:Ferguson, A.D.
Deposit date:2014-09-10
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
7Z2A
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BU of 7z2a by Molmil
P. berghei kinesin-8B motor domain in no nucleotide state bound to tubulin dimer
Descriptor: Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ...
Authors:Liu, T, Shilliday, F, Cook, A.D, Moores, C.A.
Deposit date:2022-02-26
Release date:2022-10-19
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
7Z2C
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BU of 7z2c by Molmil
P. falciparum kinesin-8B motor domain in no nucleotide bound to tubulin dimer
Descriptor: Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ...
Authors:Liu, T, Shilliday, F, Cook, A.D, Moores, C.A.
Deposit date:2022-02-26
Release date:2022-10-19
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
7Z2B
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BU of 7z2b by Molmil
P. berghei kinesin-8B motor domain in AMPPNP state bound to tubulin dimer
Descriptor: Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ...
Authors:Liu, T, Shilliday, F, Cook, A.D, Moores, C.A.
Deposit date:2022-02-26
Release date:2022-11-16
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
8A1E
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BU of 8a1e by Molmil
Rabies virus glycoprotein in complex with Fab fragments of 17C7 and 1112-1 neutralizing antibodies
Descriptor: Fab 1112-1 heavy chain variable domain, Fab 1112-1 light chain variable domain, Fab 17C7 heavy chain variable domain, ...
Authors:Ng, W.M, Fedosyuk, S, English, S, Augusto, G, Berg, A, Thorley, L, Haselon, A.S, Segireddy, R.R, Bowden, T.A, Douglas, A.D.
Deposit date:2022-06-01
Release date:2022-08-17
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structure of trimeric pre-fusion rabies virus glycoprotein in complex with two protective antibodies.
Cell Host Microbe, 30, 2022
2ZD1
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BU of 2zd1 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ...
Authors:Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
Deposit date:2007-11-16
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2ZE2
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BU of 2ze2 by Molmil
Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor
Descriptor: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
Deposit date:2007-12-05
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1COL
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BU of 1col by Molmil
REFINED STRUCTURE OF THE PORE-FORMING DOMAIN OF COLICIN A AT 2.4 ANGSTROMS RESOLUTION
Descriptor: COLICIN A
Authors:Parker, M.W, Postma, J.P.M, Pattus, F, Tucker, A.D, Tsernoglou, D.
Deposit date:1991-07-06
Release date:1992-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Refined structure of the pore-forming domain of colicin A at 2.4 A resolution.
J.Mol.Biol., 224, 1992

217705

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