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7OP0
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BU of 7op0 by Molmil
Crystal structure of complement C5 in complex with chemically synthesized K92 knob domain.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, ...
Authors:Macpherson, A, van der Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
Deposit date:2021-05-28
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The Chemical Synthesis of Knob Domain Antibody Fragments.
Acs Chem.Biol., 16, 2021
6C99
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BU of 6c99 by Molmil
Crystal structure of FcRn bound to UCB-303
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ...
Authors:Fox III, D, Abendroth, J, Porter, J, Deboves, H.
Deposit date:2018-01-25
Release date:2018-05-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6C98
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BU of 6c98 by Molmil
Crystal structure of FcRn bound to UCB-84
Descriptor: 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, Beta-2-microglobulin, CYSTEINE, ...
Authors:Fox III, D, Lukacs, C.M.
Deposit date:2018-01-25
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6C97
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BU of 6c97 by Molmil
Crystal structure of FcRn at pH3
Descriptor: Beta-2-microglobulin, GLYCEROL, IgG receptor FcRn large subunit p51
Authors:Fox III, D, Fairman, J.W.
Deposit date:2018-01-25
Release date:2018-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
8DSR
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BU of 8dsr by Molmil
Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362
Descriptor: (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X
Authors:Abendroth, J, Lorimer, D.D.
Deposit date:2022-07-22
Release date:2022-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .
J.Med.Chem., 65, 2022
5FUC
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BU of 5fuc by Molmil
Biophysical and cellular characterisation of a junctional epitope antibody that locks IL-6 and gp80 together in a stable complex: implications for new therapeutic strategies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, INTERLEUKIN-6, INTERLEUKIN-6 RECEPTOR SUBUNIT ALPHA, ...
Authors:Adams, R, Griffin, R, Doyle, C, Ettorre, A.
Deposit date:2016-01-25
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein:protein interaction and modulates its downstream signaling.
Sci Rep, 7, 2017
5F72
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BU of 5f72 by Molmil
De novo design and crystallographic validation of antibodies targeting a pre-selected epitope
Descriptor: Kelch-like ECH-associated protein 1, Single chain Fv from a Fab
Authors:Liu, X, Taylor, R.D, Griffin, L, Coker, S, Adams, R, Ceska, T, Shi, J, Lawson, A.D.G, Baker, T.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:De novo design and crystallographic validation of antibodies targeting a pre-selected epitope
To Be Published
8COM
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BU of 8com by Molmil
Structure of the Nucleosome Core Particle from Trypanosoma brucei
Descriptor: Histone H2A, Histone H2B, Histone H3, ...
Authors:Burdett, H, Deak, G, Wilson, M.D.
Deposit date:2023-02-28
Release date:2023-07-12
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Histone divergence in trypanosomes results in unique alterations to nucleosome structure.
Nucleic Acids Res., 51, 2023
5NAK
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BU of 5nak by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate L-kynurenine
Descriptor: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Taylor, M, Mowat, C.G, Rowland, P.
Deposit date:2017-02-28
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5NAB
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BU of 5nab by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Descriptor: 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5NAH
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BU of 5nah by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid
Descriptor: 3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2017-07-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5NAE
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BU of 5nae by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-2-oxo-6-[(1R)-1-(pyridin-2-yl)ethoxy]-2,3-dihydro-1,3-benzoxazol-3-yl}propanoic acid
Descriptor: 3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5NA5
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BU of 5na5 by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) apo structure
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017
5NAG
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BU of 5nag by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-{5-chloro-6-[(1R)-1-(pyridin-2-yl)ethoxy]-1,2-benzoxazol-3-yl}propanoic acid
Descriptor: 3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
Authors:Rowland, P.
Deposit date:2017-02-27
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase.
Nat Commun, 8, 2017

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