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6T9E
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BU of 6t9e by Molmil
Crystal structure of a bispecific DutaFab in complex with human PDGF
Descriptor: DutaFab mat VH chain, DutaFab mat VL chain, Platelet-derived growth factor subunit B
Authors:Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
Deposit date:2019-10-28
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.989 Å)
Cite:DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
6T9D
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BU of 6t9d by Molmil
Crystal structure of a bispecific DutaFab in complex with human VEGF121
Descriptor: VP mat DutaFab VH chain, VP mat DutaFab VL chain, Vascular endothelial growth factor A
Authors:Kimbung, R, Logan, D.T, Beckmann, R, Jensen, K, Speck, J, Fenn, S, Kettenberger, H.
Deposit date:2019-10-28
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:DutaFabs are engineered therapeutic Fab fragments that can bind two targets simultaneously.
Nat Commun, 12, 2021
7NSN
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BU of 7nsn by Molmil
Multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis: mannoimidazole complex
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Kolaczkowski, B.M, Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S, Moeler, M.S, Meyer, A.S, Westh, P, Jensen, K, Krogh, K.B.R.M.
Deposit date:2021-03-08
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural and functional characterization of multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis
To Be Published
7OSK
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BU of 7osk by Molmil
Ignisphaera aggregans GH53 catalytic domain
Descriptor: Arabinogalactan endo-1,4-beta-galactosidase, CALCIUM ION, CHLORIDE ION, ...
Authors:Fredslund, F, Lo Leggio, L, Poulsen, J.C, Rasmussen, K.K, Muderspach, S, Krogh, K.B.R.M, Jensen, K.
Deposit date:2021-06-08
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineering the substrate binding site of the hyperthermostable archaeal endo-beta-1,4-galactanase from Ignisphaera aggregans.
Biotechnol Biofuels, 14, 2021
4B5I
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BU of 4b5i by Molmil
Product complex of Neisseria AP endonuclease in presence of metal ions
Descriptor: 5'-D(*3DRP*CP*AP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP)-3', ...
Authors:Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S.
Deposit date:2012-08-03
Release date:2012-10-17
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.555 Å)
Cite:Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
4B5G
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BU of 4b5g by Molmil
Substrate bound Neisseria AP endonuclease in absence of metal ions (crystal form 2)
Descriptor: 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*CP*AP*TP*CP*GP)-3', EXODEOXYRIBONUCLEASE
Authors:Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S.
Deposit date:2012-08-03
Release date:2012-10-17
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
4B5F
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BU of 4b5f by Molmil
Substrate bound Neisseria AP endonuclease in absence of metal ions (crystal form 1)
Descriptor: 5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*GP*AP*TP*CP*GP)-3', PUTATIVE EXODEOXYRIBONUCLEASE
Authors:Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S.
Deposit date:2012-08-03
Release date:2012-10-17
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
4B5J
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BU of 4b5j by Molmil
Neisseria AP endonuclease bound to the substrate with an orphan Adenine base
Descriptor: 5'-D(*CP*GP*AP*TP*GP*AP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*CP*AP*TP*CP*GP)-3', PUTATIVE EXODEOXYRIBONUCLEASE
Authors:Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S.
Deposit date:2012-08-03
Release date:2012-10-17
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
4B5H
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BU of 4b5h by Molmil
Substate bound inactive mutant of Neisseria AP endonuclease in presence of metal ions
Descriptor: 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*CP*AP*TP*CP*GP)-3', MANGANESE (II) ION, ...
Authors:Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S.
Deposit date:2012-08-03
Release date:2012-10-17
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
4B5M
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BU of 4b5m by Molmil
Neisseria AP endonuclease bound to the substrate with a cytosine orphan base
Descriptor: 5'-D(*3DRP*CP*AP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*TP*GP*CP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP)-3', ...
Authors:Lu, D, Silhan, J, MacDonald, J.T, Carpenter, E.P, Jensen, K, Tang, C.M, Baldwin, G.S, Freemont, P.S.
Deposit date:2012-08-06
Release date:2012-10-17
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.758 Å)
Cite:Structural basis for the recognition and cleavage of abasic DNA in Neisseria meningitidis.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
2JC4
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BU of 2jc4 by Molmil
3'-5' exonuclease (NExo) from Neisseria Meningitidis
Descriptor: ACETATE ION, DIHYDROGENPHOSPHATE ION, EXODEOXYRIBONUCLEASE III, ...
Authors:Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G, Freemont, P.
Deposit date:2006-12-19
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007
2JC5
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BU of 2jc5 by Molmil
Apurinic Apyrimidinic (AP) endonuclease (NApe) from Neisseria Meningitidis
Descriptor: 1,4-DIETHYLENE DIOXIDE, BICINE, EXODEOXYRIBONUCLEASE, ...
Authors:Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G.S, Freemont, P.
Deposit date:2006-12-19
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis.
Embo J., 26, 2007
8D4Z
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BU of 8d4z by Molmil
Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763
Descriptor: 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Bell, J.A.
Deposit date:2022-06-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action
To Be Published
7U9U
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BU of 7u9u by Molmil
Crystal structure of human D-amino acid oxidase in complex with inhibitor
Descriptor: (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ...
Authors:Skene, R.J, Bell, J.A.
Deposit date:2022-03-11
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
7U9S
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BU of 7u9s by Molmil
Crystal structure of human D-amino acid oxidase in complex with inhibitor
Descriptor: 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Skene, R.J, Bell, J.A.
Deposit date:2022-03-11
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022

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