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6M2Q
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BU of 6m2q by Molmil
SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21)
Descriptor: 3C-like proteinase
Authors:Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C.
Deposit date:2020-02-28
Release date:2020-04-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients.
Acta Pharmacol.Sin., 41, 2020
3IF1
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BU of 3if1 by Molmil
Crystal structure of 237mAb in complex with a GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Immunoglobulin heavy chain (IgG2a), Immunoglobulin light chain (IgG2a), ...
Authors:Brooks, C.L, Evans, S.V, Borisova, S.N.
Deposit date:2009-07-23
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Antibody recognition of a unique tumor-specific glycopeptide antigen.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IET
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BU of 3iet by Molmil
Crystal Structure of 237mAb with antigen
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Immunoglobulin heavy chain (IgG2a), Immunoglobulin light chain (IgG2a), ...
Authors:Brooks, C.L, Evans, S.V, Borisova, S.N.
Deposit date:2009-07-23
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibody recognition of a unique tumor-specific glycopeptide antigen.
Proc.Natl.Acad.Sci.USA, 107, 2010
4AFN
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BU of 4afn by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa at 2.3A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, PENTAETHYLENE GLYCOL
Authors:Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
Deposit date:2012-01-20
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
7W0G
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BU of 7w0g by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist H11
Descriptor: 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
Deposit date:2021-11-18
Release date:2022-02-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.443 Å)
Cite:Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
6KK1
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BU of 6kk1 by Molmil
Structure of thermal-stabilised(M8) human GLP-1 receptor transmembrane domain
Descriptor: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
Authors:Song, G.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
6L42
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BU of 6l42 by Molmil
Structure of severe fever with thrombocytopenia syndrome virus L protein
Descriptor: MAGNESIUM ION, RNA polymerase
Authors:Wang, P, Lou, Z.
Deposit date:2019-10-15
Release date:2020-05-13
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of severe fever with thrombocytopenia syndrome virus L protein elucidates the mechanisms of viral transcription initiation.
Nat Microbiol, 5, 2020
4AG3
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BU of 4ag3 by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with NADPH at 1.8A resolution
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL
Authors:Cukier, C.D, Schnell, R, Schneider, G, Lindqvist, Y.
Deposit date:2012-01-24
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
6KK7
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BU of 6kk7 by Molmil
Structure of thermal-stabilised(M6) human GLP-1 receptor transmembrane domain
Descriptor: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
Authors:Song, G.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
6KJV
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BU of 6kjv by Molmil
Structure of thermal-stabilised(M9) human GLP-1 receptor transmembrane domain
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
Authors:Song, G.
Deposit date:2019-07-23
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
4ETR
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BU of 4etr by Molmil
X-ray structure of PA2169 from Pseudomonas aeruginosa
Descriptor: Putative uncharacterized protein
Authors:Schnell, R, Sandalova, T, Lindqvist, Y, Schneider, G.
Deposit date:2012-04-24
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4ES6
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BU of 4es6 by Molmil
Crystal structure of HemD (PA5259) from Pseudomonas aeruginosa (PAO1) at 2.22 A resolution
Descriptor: CHLORIDE ION, Uroporphyrinogen-III synthase
Authors:Schnell, R, Schneider, G.
Deposit date:2012-04-22
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4EXB
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BU of 4exb by Molmil
Putative aldo-keto reductase from Pseudomona aeruginosa
Descriptor: Putative uncharacterized protein
Authors:Schnell, R, Schneider, G, Sandalova, T.
Deposit date:2012-04-30
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
8JPA
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BU of 8jpa by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2023-06-11
Release date:2023-06-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
3PS0
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BU of 3ps0 by Molmil
The structure of the CRISPR-associated protein, csa2, from Sulfolobus solfataricus
Descriptor: CRISPR-Associated protein, CSA2
Authors:Lintner, N.G, Sdano, M, Young, M.J, Lawrence, C.M.
Deposit date:2010-11-30
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of an archaeal clustered regularly interspaced short palindromic repeat (CRISPR)-associated complex for antiviral defense (CASCADE).
J.Biol.Chem., 286, 2011
3PV1
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BU of 3pv1 by Molmil
Crystal structure of the USP15 DUSP-UBL domains
Descriptor: ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 15
Authors:Elliott, P.R, Urbe, S, Clague, M.J, Barsukov, I.L.
Deposit date:2010-12-06
Release date:2011-11-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural variability of the ubiquitin specific protease DUSP-UBL double domains.
Febs Lett., 585, 2011
8Y33
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BU of 8y33 by Molmil
A near-infrared fluorescent protein of de novo backbone design
Descriptor: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, near-infrared fluorescent protein
Authors:Hu, X, Xu, Y.
Deposit date:2024-01-28
Release date:2024-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Using Protein Design and Directed Evolution to Monomerize a Bright Near-Infrared Fluorescent Protein.
Acs Synth Biol, 13, 2024
8I8Y
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BU of 8i8y by Molmil
A mutant of the C-terminal complex of proteins 4.1G and NuMA
Descriptor: Engineered protein
Authors:Hu, X.
Deposit date:2023-02-06
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
4EXA
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BU of 4exa by Molmil
Crystal structure of the PA4992, the putative aldo-keto reductase from Pseudomona aeruginosa
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative uncharacterized protein
Authors:Sandalova, T, Schnell, R, Schneider, G.
Deposit date:2012-04-30
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
8HFQ
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BU of 8hfq by Molmil
Cryo-EM structure of CpcL-PBS from cyanobacterium Synechocystis sp. PCC 6803
Descriptor: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, Ferredoxin--NADP reductase, ...
Authors:Zheng, L, Zhang, Z, Wang, H, Zheng, Z, Gao, N, Zhao, J.
Deposit date:2022-11-11
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM and femtosecond spectroscopic studies provide mechanistic insight into the energy transfer in CpcL-phycobilisomes.
Nat Commun, 14, 2023
5YAG
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BU of 5yag by Molmil
Crystal structure of mosquito arylalkylamine N-Acetyltransferase like 5b/spermine N-Acetyltransferase
Descriptor: AAEL004827-PA, GLYCEROL
Authors:Han, Q, Guan, H, Robinson, H, Li, J.
Deposit date:2017-08-31
Release date:2018-02-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of aaNAT5b as a spermine N-acetyltransferase in the mosquito, Aedes aegypti.
PLoS ONE, 13, 2018
2HHN
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BU of 2hhn by Molmil
Cathepsin S in complex with non covalent arylaminoethyl amide.
Descriptor: Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION
Authors:Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
Deposit date:2006-06-28
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers
Bioorg.Med.Chem.Lett., 16, 2006
1XX2
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BU of 1xx2 by Molmil
Refinement of P99 beta-lactamase from Enterobacter cloacae
Descriptor: Beta-lactamase
Authors:Knox, J.R, Sun, T.
Deposit date:2004-11-03
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystallographic structure of a phosphonate derivative of the Enterobacter cloacae P99 cephalosporinase: mechanistic interpretation of a beta-lactamase transition-state analog.
Biochemistry, 33, 1994
8OL9
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BU of 8ol9 by Molmil
Anti-FIXa Fab in complex with human des-(Gla-EGF1) FIXa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX heavy chain, ...
Authors:Johansson, E, Svensson, L.A.
Deposit date:2023-03-30
Release date:2023-07-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computational design of N-linked glycans for high throughput epitope profiling.
Protein Sci., 32, 2023
4KR1
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BU of 4kr1 by Molmil
Crystal structure of the kinetechore protein Iml3 from budding yeast
Descriptor: Central kinetochore subunit IML3
Authors:Tao, Y, Guo, Q, Teng, M.
Deposit date:2013-05-16
Release date:2013-12-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the role of the Chl4-Iml3 complex in kinetochore assembly
Acta Crystallogr.,Sect.D, 69, 2013

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PDB entries from 2024-08-07

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