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6TCI
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BU of 6tci by Molmil
The crystal structure of SleB N-terminal domain
Descriptor: Spore cortex-lytic enzyme
Authors:Chirgadze, D.Y, Hardwick, S.W, Christie, G.
Deposit date:2019-11-06
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The crystal structure of SleB N-terminal domain
To Be Published
6TS3
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BU of 6ts3 by Molmil
EF-hands 3 and 4 of alpha-actinin in complex with CaMKII regulatory segment
Descriptor: ACE-ASN-ALA-ARG-ARG-LYS-LEU-LYS-GLY-ALA-ILE-LEU-THR-THR-MET-LEU-ALA-THR-ARG-ASN-PHE, ACETYL GROUP, Alpha-actinin-2
Authors:Zhu, J, Gold, M.
Deposit date:2019-12-19
Release date:2021-01-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:EF-hands 3 and 4 of alpha-actinin in complex with CaMKII regulatory segment
To Be Published
7CY1
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BU of 7cy1 by Molmil
Crystal Structure of MglC from Myxococcus xanthus
Descriptor: Mutual gliding motility protein C, SODIUM ION
Authors:Thakur, K.G, Kapoor, S, Kodesia, A.
Deposit date:2020-09-03
Release date:2021-01-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural characterization of Myxococcus xanthus MglC, a component of the polarity control system, and its interactions with its paralog MglB.
J.Biol.Chem., 2021
6TS9
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BU of 6ts9 by Molmil
Crystal structure of GES-5 carbapenemase
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ...
Authors:Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L.
Deposit date:2019-12-20
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Biomolecules, 10, 2020
6TEQ
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BU of 6teq by Molmil
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with 2-deoxy-2-fluoro-galactose
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-alpha-D-galactopyranose, ...
Authors:Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A.
Deposit date:2019-11-12
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
7F6K
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BU of 7f6k by Molmil
Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to citrate
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Kanaujia, S.P, Mandal, S.K, Gogoi, P.
Deposit date:2021-06-25
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
6TUK
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BU of 6tuk by Molmil
Crystal structure of Fdr9
Descriptor: (R,R)-2,3-BUTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Putative oxidoreductase, ...
Authors:Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A.
Deposit date:2020-01-07
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Expression, purification and crystal structure determination of a ferredoxin reductase from the actinobacterium Thermobifida fusca.
Acta Crystallogr.,Sect.F, 76, 2020
6T26
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BU of 6t26 by Molmil
X-ray crystal structure of Vibrio alkaline phosphatase with the non-competitive inhibitor cyclohexylamine
Descriptor: Alkaline phosphatase, CHLORIDE ION, CYCLOHEXYLAMMONIUM ION, ...
Authors:Asgeirsson, B, Hjorleifsson, J.G, Markusson, S, Helland, R.
Deposit date:2019-10-07
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.265 Å)
Cite:X-ray crystal structure of Vibrio alkaline phosphatase with the non-competitive inhibitor cyclohexylamine.
Biochem Biophys Rep, 24, 2020
6TFO
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BU of 6tfo by Molmil
Crystal structure of as isolated three-domain copper-containing nitrite reductase from Hyphomicrobium denitrificans strain 1NES1
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Sasaki, D, Watanabe, T.F, Eady, R.R, Garratt, R.C, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2019-11-14
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of substrate- and product-bound forms of a multi-domain copper nitrite reductase shed light on the role of domain tethering in protein complexes.
Iucrj, 7, 2020
6TG8
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BU of 6tg8 by Molmil
Crystal structure of the Kelch domain in complex with 11 amino acid peptide (model of the ETGE loop)
Descriptor: Kelch-like ECH-associated protein 1, SODIUM ION, VAL-ILE-ASN-PRO-GLU-THR-GLY-GLU-GLN-ILE-GLN
Authors:Kekez, I, Matic, S, Tomic, S, Matkovic-Calogovic, D.
Deposit date:2019-11-15
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process.
J.Biomol.Struct.Dyn., 39, 2021
7FHR
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BU of 7fhr by Molmil
Crystal Structure of a Rieske Oxygenase from Cupriavidus metallidurans
Descriptor: 1,2-ETHANEDIOL, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Mahto, J.K, Dhankhar, P, Kumar, P.
Deposit date:2021-07-30
Release date:2021-12-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
6T3G
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BU of 6t3g by Molmil
3C-like protease from Southampton virus complexed with FMOPL000324a.
Descriptor: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-10
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
7FDS
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BU of 7fds by Molmil
High resolution crystal structure of LpqH from Mycobacterium tuberculosis
Descriptor: Lipoprotein LpqH
Authors:Kundapura, S.V, Chatterjee, S, Samanta, D, Ramagopal, U.A.
Deposit date:2021-07-17
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.258 Å)
Cite:High-resolution crystal structure of LpqH, an immunomodulatory surface lipoprotein of Mycobacterium tuberculosis reveals a distinct fold and a conserved cleft on its surface.
Int.J.Biol.Macromol., 210, 2022
6T42
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BU of 6t42 by Molmil
Bovine lactoglobulin complex with decanol
Descriptor: Beta-lactoglobulin, DECAN-1-OL
Authors:Loch, J.I, Kopec, M, Lewinski, K.
Deposit date:2019-10-11
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational flexibility and ligand binding properties of ovine beta-lactoglobulin.
Acta Biochim.Pol., 66, 2019
6T4S
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BU of 6t4s by Molmil
3C-like protease from Southampton virus complexed with FMOPL000013a.
Descriptor: 2-(trifluoromethoxy)benzoic acid, Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-14
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TID
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BU of 6tid by Molmil
Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with H-type 1 antigen
Descriptor: Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Varrot, A, Bermeo, R.
Deposit date:2019-11-22
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information.
Molecules, 25, 2020
6T5D
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BU of 6t5d by Molmil
3C-like protease from Southampton virus complexed with FMOPL000014a.
Descriptor: 2-phenylmethoxyaniline, Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-16
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
7FHJ
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BU of 7fhj by Molmil
Crystal structure of BAZ2A with DNA
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ...
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2021-07-29
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
6TJC
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BU of 6tjc by Molmil
Crystal structure of the computationally designed Cake3 protein
Descriptor: Cake3, GLYCEROL, PHOSPHATE ION
Authors:Laier, I, Mylemans, B, Voet, A.R.D, Noguchi, H.
Deposit date:2019-11-26
Release date:2020-05-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
6TJG
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BU of 6tjg by Molmil
Crystal structure of the computationally designed Cake8 protein
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cake8
Authors:Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D.
Deposit date:2019-11-26
Release date:2020-05-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
6T7F
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BU of 6t7f by Molmil
RCR E3 ligase E2-Ubiquitin transthiolation intermediate
Descriptor: 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ...
Authors:Mabbitt, P.D, Virdee, S.
Deposit date:2019-10-21
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity.
Nat.Chem.Biol., 16, 2020
7F8G
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BU of 7f8g by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Descriptor: 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.491 Å)
Cite:Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
6TLH
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BU of 6tlh by Molmil
Crystal structure of mouse KANK3 ankyrin repeats
Descriptor: FORMIC ACID, GLYCEROL, KN motif and ankyrin repeat domain-containing protein 3
Authors:Khan, R, Singh, A.K, Goult, B.T.
Deposit date:2019-12-02
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of mouse KANK3 ankyrin repeats
To be published
7F2S
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BU of 7f2s by Molmil
Crystal structure of anti S-gatifloxacin antibody Fab fragment apo form
Descriptor: 1,2-ETHANEDIOL, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
Authors:Wang, L.T, Jiao, W.Y, Shen, X, Lei, H.T.
Deposit date:2021-06-14
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Conformational adaptability determining antibody recognition to distomer: structure analysis of enantioselective antibody against chiral drug gatifloxacin
Rsc Adv, 11, 2021
6T8N
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BU of 6t8n by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
Descriptor: 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ...
Authors:Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-10-24
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published

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PDB entries from 2024-10-02

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