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8PYV
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BU of 8pyv by Molmil
Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A
Descriptor: L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase
Authors:Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G.
Deposit date:2023-07-26
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXC
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BU of 8pxc by Molmil
Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Fap1
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A.
Deposit date:2023-07-23
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
4LTJ
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BU of 4ltj by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity (5/7)
Descriptor: BARIUM ION, DNA, Ru(tap)2(dppz) complex
Authors:Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
Deposit date:2013-07-23
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
8PZ5
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BU of 8pz5 by Molmil
Structure of ThcOx, solved at wavelength 3.099 A
Descriptor: FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein
Authors:Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A.
Deposit date:2023-07-27
Release date:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PX1
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BU of 8px1 by Molmil
Structure of salmonella effector SseK3, solved at wavelength 2.75 A
Descriptor: Non-LEE encoded effector protein NleB
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C.M, Esposito, D, Rittinger, K, Wagner, A.
Deposit date:2023-07-22
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
8PXL
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BU of 8pxl by Molmil
Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Ferredoxin reductase, ...
Authors:El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Senda, M, Matsugaki, N, Kawano, Y, Wagner, A.
Deposit date:2023-07-23
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
4LTH
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BU of 4lth by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity (3/7)
Descriptor: BARIUM ION, DNA, Ru(tap)2(dppz) complex
Authors:Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
Deposit date:2013-07-23
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
4LTI
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BU of 4lti by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 74% relative humidity (4/7)
Descriptor: BARIUM ION, CHLORIDE ION, DNA, ...
Authors:Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
Deposit date:2013-07-23
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
4LTG
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BU of 4ltg by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 74% relative humidity (2/7)
Descriptor: BARIUM ION, CHLORIDE ION, DNA, ...
Authors:Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
Deposit date:2013-07-23
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
4TS1
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BU of 4ts1 by Molmil
CRYSTAL STRUCTURE OF A DELETION MUTANT OF A TYROSYL-T/RNA SYNTHETASE COMPLEXED WITH TYROSINE
Descriptor: TYROSINE, TYROSYL-tRNA SYNTHETASE
Authors:Brick, P, Blow, D.M.
Deposit date:1989-06-29
Release date:1989-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a deletion mutant of a tyrosyl-tRNA synthetase complexed with tyrosine.
J.Mol.Biol., 194, 1987
1LMK
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BU of 1lmk by Molmil
THE STRUCTURE OF A BIVALENT DIABODY
Descriptor: ANTI-PHOSPHATIDYLINOSITOL SPECIFIC PHOSPHOLIPASE C DIABODY
Authors:Williams, R.L.
Deposit date:1994-08-29
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a diabody, a bivalent antibody fragment.
Structure, 2, 1994
3U38
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BU of 3u38 by Molmil
Intercalation of lambda-[Ru(phen)2(dppz)]2+ into d(CCGGTACCGG)2
Descriptor: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', BARIUM ION, Lambda-Ru(phen)2(dppz) complex
Authors:Cardin, C.J, Hall, J.P, Niyazi, H.
Deposit date:2011-10-05
Release date:2012-07-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structures of lambda-[Ru(phen)2dppz]2+ with oligonucleotides containing TA/TA and AT/AT steps show two intercalation modes
Nat Chem, 4, 2012
5TC3
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BU of 5tc3 by Molmil
Structure of IMP dehydrogenase from Ashbya gossypii bound to ATP and GDP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Justel, D, de Pereda, J.M, Revuelta, J.L, Buey, R.M.
Deposit date:2016-09-14
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.462 Å)
Cite:A nucleotide-controlled conformational switch modulates the activity of eukaryotic IMP dehydrogenases.
Sci Rep, 7, 2017
7QT7
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BU of 7qt7 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT5
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BU of 7qt5 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168
Descriptor: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT9
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BU of 7qt9 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011584
Descriptor: DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, Non-structural protein 6
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT6
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BU of 7qt6 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110
Descriptor: 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
7QT8
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BU of 7qt8 by Molmil
Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957
Descriptor: (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase
Authors:Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
9FGP
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BU of 9fgp by Molmil
cilia and flagella associated protein 299
Descriptor: Cilia- and flagella-associated protein 299, ZINC ION
Authors:Wright, N.D, Koekemoer, L, Structural Genomics Consortium (SGC)
Deposit date:2024-05-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:cilia and flagella associated protein 299
To Be Published
8PJM
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BU of 8pjm by Molmil
Metallo beta-lactamase VIM2 with compound AK110
Descriptor: Beta-lactamase VIM-2, CHLORIDE ION, SODIUM ION, ...
Authors:Lucic, A, Hinchliffe, P, Schofield, C.
Deposit date:2023-06-23
Release date:2023-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Metallo beta-lactamase VIM2 with compound AK110
To Be Published
1TYP
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BU of 1typ by Molmil
SUBSTRATE INTERACTIONS BETWEEN TRYPANOTHIONE REDUCTASE AND N1-GLUTATHIONYLSPERMIDINE DISULPHIDE AT 0.28-NM RESOLUTION
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Bailey, S, Hunter, W.N.
Deposit date:1992-06-29
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate interactions between trypanothione reductase and N1-glutathionylspermidine disulphide at 0.28-nm resolution.
Eur.J.Biochem., 213, 1993
1BVK
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BU of 1bvk by Molmil
HUMANIZED ANTI-LYSOZYME FV COMPLEXED WITH LYSOZYME
Descriptor: HULYS11, LYSOZYME
Authors:Holmes, M.A, Buss, T.N, Foote, J.
Deposit date:1998-09-16
Release date:1999-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational correction mechanisms aiding antigen recognition by a humanized antibody.
J.Exp.Med., 187, 1998
1BVL
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BU of 1bvl by Molmil
HUMANIZED ANTI-LYSOZYME FV
Descriptor: HULYS11
Authors:Holmes, M.A, Foote, J.
Deposit date:1998-09-16
Release date:1999-02-16
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural consequences of humanizing an antibody.
J.Immunol., 158, 1997
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