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5DUQ
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BU of 5duq by Molmil
Active human c1-inhibitor in complex with dextran sulfate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma protease C1 inhibitor, SULFITE ION, ...
Authors:Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A, Pannu, N.S.
Deposit date:2015-09-20
Release date:2016-08-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation.
Structure, 24, 2016
8EWZ
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BU of 8ewz by Molmil
Plasmodium falciparum M1 in complex with inhibitor 9c
Descriptor: (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-24
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EKH
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BU of 8ekh by Molmil
I-2 Y35N H35N (unbound) Fab from CH65-CH67 lineage
Descriptor: I-2 Fab heavy chain, I-2 Fab light chain
Authors:Maurer, D.P, Schmidt, A.G.
Deposit date:2022-09-21
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hierarchical sequence-affinity landscapes shape the evolution of breadth in an anti-influenza receptor binding site antibody.
Elife, 12, 2023
7RZP
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BU of 7rzp by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2866
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, Dihydropteridine reductase, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-27
Release date:2021-09-29
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
8EYF
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BU of 8eyf by Molmil
Plasmodium falciparum M1 in complex with inhibitor 15aa
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-26
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EZ2
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BU of 8ez2 by Molmil
Plasmodium falciparum M1 in complex with inhibitor 15ag
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-31
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
7UFW
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BU of 7ufw by Molmil
Pfs230 D1D2 in complex with LMIV230-01
Descriptor: Gametocyte surface protein P230, LMIV230-01
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-23
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
7D7R
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BU of 7d7r by Molmil
Cryo-EM structure of the core domain of human ABCB6 transporter
Descriptor: ATP-binding cassette sub-family B member 6, mitochondrial
Authors:Wang, C, Cao, C, Wang, N, Wang, X, Zhang, X.C.
Deposit date:2020-10-05
Release date:2020-10-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-electron microscopy structure of human ABCB6 transporter.
Protein Sci., 29, 2020
7RZL
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BU of 7rzl by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-08-27
Release date:2021-09-29
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
7UA8
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BU of 7ua8 by Molmil
Pfs230 D1 domain in complex with 230AL-20
Descriptor: 230Al-20, Gametocyte surface protein P230
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-11
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
7UA2
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BU of 7ua2 by Molmil
Pfs230 D1 domain in complex with 230AL-18
Descriptor: 230AL-18, Gametocyte surface protein P230, LMIV230-01
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-11
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
7CZA
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BU of 7cza by Molmil
Hexachlorobenzene monooxygenase (HcbA1) from Nocardioides sp. strain PD653 complexed with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, Hexachlorobenzene oxidative dehalogenase
Authors:Guo, Y, Zheng, J.T, Zhou, N.Y.
Deposit date:2020-09-07
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Hexachlorobenzene Monooxygenase Substrate Selectivity and Catalysis: Structural and Biochemical Insights.
Appl.Environ.Microbiol., 87, 2020
7UCQ
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BU of 7ucq by Molmil
Pfs230 D1 domain in complex with 230AS-18
Descriptor: 230AS-18, Gametocyte surface protein P230
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-17
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
7S1A
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BU of 7s1a by Molmil
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20
Descriptor: ACETIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-09-01
Release date:2021-10-06
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
7UI1
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BU of 7ui1 by Molmil
Pfs230 D1D2 domain in complex with 230AL-37
Descriptor: 230AL-37, Gametocyte surface protein P230, SULFATE ION
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-28
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
7UDI
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BU of 7udi by Molmil
Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans
Descriptor: DNA damage response protein DdrC, SULFATE ION
Authors:Szabla, R, Li, M.C, Junop, M.S.
Deposit date:2022-03-19
Release date:2023-02-22
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:DdrC, a unique DNA repair factor from D. radiodurans, senses and stabilizes DNA breaks through a novel lesion-recognition mechanism.
Nucleic Acids Res., 2024
7UC8
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BU of 7uc8 by Molmil
Pfs230 D1 domain in complex with 230AS-73
Descriptor: 230AS-73, Gametocyte surface protein P230, SODIUM ION
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-16
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
7S13
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BU of 7s13 by Molmil
Crystal structure of Fab in complex with mouse CD96 dimer
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ...
Authors:Lee, P.S, Barman, I, Strop, P.
Deposit date:2021-08-31
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
7U9W
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BU of 7u9w by Molmil
Pfs230 D1 domain in complex with 230AS-88
Descriptor: 230AS-88, Gametocyte surface protein P230
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-11
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
7UBS
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BU of 7ubs by Molmil
Pfs230 D1 domain in complex with 230AS-26
Descriptor: 230AS-26, Gametocyte surface protein P230
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-15
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
2R97
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BU of 2r97 by Molmil
Crystal structure of E. coli WrbA in complex with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA
Authors:Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J.
Deposit date:2007-09-12
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural organization of WrbA in apo- and holoprotein crystals.
Biochim.Biophys.Acta, 1794, 2009
8EXG
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BU of 8exg by Molmil
Human Carbonic Anhydrase II bound N-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)-4-sulfamoylbenzamide
Descriptor: (4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
8EJB
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BU of 8ejb by Molmil
Bruton's tyrosine kinase in complex with 3-{[4-(1-acetylpiperidin-4-yl)phenyl]amino}-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2022-09-16
Release date:2023-02-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:NRX-0492 degrades wild-type and C481 mutant BTK and demonstrates in vivo activity in CLL patient-derived xenografts.
Blood, 141, 2023
8EXC
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BU of 8exc by Molmil
Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
8EMU
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BU of 8emu by Molmil
Human Carbonic Anhydrase II Heterobifunctional Degraders
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(2-methoxyethyl)-4-sulfamoylbenzamide, ...
Authors:Kohlbrand, A.J, O'Herin, C.B.
Deposit date:2022-09-28
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 66, 2023

223790

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