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7KRK
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BU of 7krk by Molmil
Putative FabG from Acinetobacter baumannii
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, GLYCEROL
Authors:Shaw, K.I, Smith, K.M, Cross, E.M.
Deposit date:2020-11-20
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Putative FabG from Acinetobacter baumannii
To Be Published
6B2B
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BU of 6b2b by Molmil
Crystal structure of fluoride channel Fluc Ec2 F83M Mutant
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, FLUORIDE ION, Fluoride ion transporter CrcB, ...
Authors:Last, N.B, Sun, S, Pham, M.C, Miller, C.
Deposit date:2017-09-19
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular determinants of permeation in a fluoride-specific ion channel.
Elife, 6, 2017
5UHO
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BU of 5uho by Molmil
Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with PUGNAc
Descriptor: O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
Authors:Klein, D.J, Elsen, N.L.
Deposit date:2017-01-11
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
5GVS
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BU of 5gvs by Molmil
Crystal structure of the DDX41 DEAD domain in an apo open form
Descriptor: Probable ATP-dependent RNA helicase DDX41
Authors:Omura, H, Oikawa, D, Nakane, T, Kato, M, Ishii, R, Goto, Y, Suga, H, Ishitani, R, Tokunaga, F, Nureki, O.
Deposit date:2016-09-06
Release date:2016-10-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Analysis of DDX41: a bispecific immune receptor for DNA and cyclic dinucleotide
Sci Rep, 6, 2016
6XZX
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BU of 6xzx by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
Descriptor: 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
7ZTW
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BU of 7ztw by Molmil
Crystal Structure of Human Parechovirus 1 2A protein
Descriptor: ACETATE ION, Protein 2A, SODIUM ION
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-11
Release date:2023-05-24
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Human Parechovirus 1 2A protein
To Be Published
6Y00
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BU of 6y00 by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
Descriptor: 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
7Q10
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BU of 7q10 by Molmil
Acetyltrasferase(3) type IIIa in complex with 3-N-methyl-nemycin B
Descriptor: 3N methyl nemycin B, ACETATE ION, Aminoglycoside N(3)-acetyltransferase III, ...
Authors:Pontillo, N, Guskov, A.
Deposit date:2021-10-17
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:3-N-alkylation in aminoglycoside antibiotic neomycin B overcomes bacterial resistance mediated by acetyltransferase (3) IIIa
To Be Published
7ZU4
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BU of 7zu4 by Molmil
Crystal Structure of Human Parechovirus 1 2A protein lacking the C-terminal oligomerisation helix
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein 2A, ...
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-11
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human Parechovirus 1 2A protein
To Be Published
7ZV6
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BU of 7zv6 by Molmil
Crystal Structure of Aichivirus A 2A protein
Descriptor: Protein 2A
Authors:von Castelmur, E, Perrakis, A.
Deposit date:2022-05-13
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structural and functional repurposing of picornavirus H/NC-motif 2A proteins
To Be Published
5UGJ
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BU of 5ugj by Molmil
Crystal structure of HTPA Reductase from neisseria meningitidis
Descriptor: 4-hydroxy-tetrahydrodipicolinate reductase
Authors:Keown, J.K, Richards, E.W, Pearce, F.G, Goldstone, D.C.
Deposit date:2017-01-08
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Plant DHDPR forms a dimer with unique secondary structure features that preclude higher-order assembly.
Biochem. J., 475, 2018
6XZZ
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BU of 6xzz by Molmil
Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD2 peptide
Descriptor: B-cell lymphoma 6 protein, CHLORIDE ION, Nuclear receptor corepressor 1, ...
Authors:Zacharchenko, T, Wright, S.C.
Deposit date:2020-02-05
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone.
Iucrj, 8, 2021
5GXH
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BU of 5gxh by Molmil
The structure of the Gemin5 WD40 domain with AAUUUUUG
Descriptor: GLYCEROL, Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*G)-3'), ...
Authors:Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-17
Release date:2016-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
7L04
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BU of 7l04 by Molmil
Crystal Structure of Adeno-Associated Virus Porcine Origin capsid protein in complex with Importin-alpha 2
Descriptor: Importin subunit alpha-1, VP1
Authors:Hoad, M, Forwood, J.
Deposit date:2020-12-11
Release date:2021-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of Adeno-Associated Virus Porcine Origin capsid protein in complex with Importin-alpha 2
To Be Published
6Y1D
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BU of 6y1d by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (DBD) phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Estrogen related receptor gamma phosphopeptide, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-12
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6FFS
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BU of 6ffs by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Descriptor: 3C Protease, SULFATE ION, ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Wiesmann, C, Farady, C.
Deposit date:2018-01-09
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
8R2J
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BU of 8r2j by Molmil
X-ray crystallographic structure of SwaQ2 in complex with NADP+ and doxorubicin
Descriptor: DOXORUBICIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NmrA family transcriptional regulator
Authors:Schnell, R, Schneider, G.
Deposit date:2023-11-06
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of Two-Component Mono-Oxygenases Involved in Anthracycline 1-Hydroxylation
Acs Catalysis, 2024
6PNG
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BU of 6png by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine
Descriptor: 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine, Nitric oxide synthase, brain, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.775 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6Y1K
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BU of 6y1k by Molmil
Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant
Descriptor: FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain
Authors:Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M.
Deposit date:2020-02-12
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
8R2E
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BU of 8r2e by Molmil
X-ray crystallographic structure of SnoaL2 in complex with the polyketide reaction product
Descriptor: 3',4'-demethoxy-nogalose-1-hydroxy-nogalamycinone, SnoL
Authors:Schnell, R, Schneider, G.
Deposit date:2023-11-04
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Two-Component Mono-Oxygenases Involved in Anthracycline 1-Hydroxylation
Acs Catalysis, 2024
6EYN
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BU of 6eyn by Molmil
Structure of the 8D6 (anti-IgE) Fab
Descriptor: 1,2-ETHANEDIOL, 8D6 Fab heavy chain, 8D6 Fab light chain, ...
Authors:Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M.
Deposit date:2017-11-13
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody.
Sci Rep, 8, 2018
7PI6
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BU of 7pi6 by Molmil
Trypanosoma brucei ISG65 bound to human complement C3d
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 65 kDa invariant surface glycoprotein, Complement C3dg fragment, ...
Authors:Cook, A.D, Higgins, M.K.
Deposit date:2021-08-19
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Invariant surface glycoprotein 65 of Trypanosoma brucei is a complement C3 receptor.
Nat Commun, 13, 2022
7KXF
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BU of 7kxf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
Descriptor: N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera
Authors:Sack, J.
Deposit date:2020-12-03
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
6FFZ
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BU of 6ffz by Molmil
Crystal structure of R. ruber ADH-A, mutant F43H, Y54L
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2018-01-09
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
8R86
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BU of 8r86 by Molmil
Xylanase from Bacillus circulans mutant E78Q/W71A
Descriptor: Endo-1,4-beta-xylanase
Authors:Chikunova, A, Saberi, M, Ubbink, M.
Deposit date:2023-11-28
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Bimodal substrate binding in the active site of the glycosidase BcX
Febs J., 2024

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PDB entries from 2024-08-28

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