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7DGW
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BU of 7dgw by Molmil
De novo designed protein H4A2S
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, de novo designed protein H4A2S
Authors:Xu, Y, Liao, S, Chen, Q, Liu, H.
Deposit date:2020-11-12
Release date:2021-11-24
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DKO
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BU of 7dko by Molmil
De novo design protein AM2M
Descriptor: de novo designed protein AM2M
Authors:Bin, H.
Deposit date:2020-11-25
Release date:2021-12-08
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DMF
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BU of 7dmf by Molmil
A de novo protein that rigidly extends the structure of tVHS-like domain in tepsin with a new designed domain
Descriptor: Designed protein EXTD-3
Authors:Xu, Y.
Deposit date:2020-12-03
Release date:2021-12-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DKK
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BU of 7dkk by Molmil
De novo design protein XM2H
Descriptor: De novo design protein XM2H
Authors:Bin, H.
Deposit date:2020-11-24
Release date:2021-12-08
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DGY
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BU of 7dgy by Molmil
De novo designed protein H4C2R
Descriptor: de novo designed protein H4C2R
Authors:Xu, Y, Liao, S, Chen, Q, Liu, H.
Deposit date:2020-11-12
Release date:2021-12-15
Last modified:2022-03-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
5XK8
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BU of 5xk8 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GPP
Descriptor: GERANYL DIPHOSPHATE, MAGNESIUM ION, Undecaprenyl diphosphate synthase
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XWZ
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BU of 5xwz by Molmil
Crystal structure of a lactonase from Cladophialophora bantiana
Descriptor: GLYCEROL, MALONATE ION, SODIUM ION, ...
Authors:Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-06-30
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization and crystal structure of a novel zearalenone hydrolase from Cladophialophora bantiana
Acta Crystallogr F Struct Biol Commun, 73, 2017
5XK9
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BU of 5xk9 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GSPP and DMAPP
Descriptor: DIMETHYLALLYL DIPHOSPHATE, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XK7
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BU of 5xk7 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with DMAPP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5YGK
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BU of 5ygk by Molmil
Crystal structure of a synthase from Streptomyces sp. CL190 with dmaspp
Descriptor: Cyclolavandulyl diphosphate synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION
Authors:Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-09-23
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
5YNW
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BU of 5ynw by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP and INN
Descriptor: 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, ...
Authors:Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-10-25
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5YGJ
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BU of 5ygj by Molmil
Crystal structure of a synthase from Streptomyces sp. CL190
Descriptor: Cyclolavandulyl diphosphate synthase
Authors:Gao, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-09-23
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.648 Å)
Cite:Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
5YNT
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BU of 5ynt by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903
Descriptor: DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, IMIDAZOLE, ...
Authors:Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-10-25
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5YNU
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BU of 5ynu by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with INN
Descriptor: 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, ...
Authors:Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-10-25
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5YNV
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BU of 5ynv by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, aromatic prenyltransferase
Authors:Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-10-25
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
6ASI
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BU of 6asi by Molmil
E. coli phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-24
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6AT2
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BU of 6at2 by Molmil
E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-27
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6ASN
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BU of 6asn by Molmil
E. coli phosphoenolpyruvate carboxykinase K212I F216V mutant bound to methanesulfonate
Descriptor: Phosphoenolpyruvate carboxykinase (ATP), SULFATE ION, methanesulfonic acid
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-25
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6ASM
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BU of 6asm by Molmil
E. coli phosphoenolpyruvate carboxykinase G209S K212C mutant bound to thiosulfate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-25
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6AT4
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BU of 6at4 by Molmil
E. coli phosphoenolpyruvate carboxykinase bound to thiosulfate
Descriptor: Phosphoenolpyruvate carboxykinase (ATP), THIOSULFATE
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-27
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6AT3
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BU of 6at3 by Molmil
E. coli phosphoenolpyruvate carboxykinase Y207F mutant bound to thiosulfate and oxaloacetate
Descriptor: OXALOACETATE ION, Phosphoenolpyruvate carboxykinase (ATP), THIOSULFATE
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-27
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.455 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6BCM
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BU of 6bcm by Molmil
Structure of a Self-inhibited N475A variant of the Venezuelan Equine Encephalitis Virus (VEEV) nsP2 cysteine protease
Descriptor: GLYCEROL, Protease nsP2, SODIUM ION
Authors:Compton, J.R, Legler, P.M.
Deposit date:2017-10-20
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutation of Asn-475 in the Venezuelan Equine Encephalitis Virus nsP2 Cysteine Protease Leads to a Self-Inhibited State.
Biochemistry, 56, 2017
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6JMK
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BU of 6jmk by Molmil
Ribosomal protein S7 from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 30S ribosomal protein S7, GLYCEROL
Authors:Li, Z, Li, J.
Deposit date:2019-03-11
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the complex of trigger factor chaperone and ribosomal protein S7 from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 512, 2019
6M7Z
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BU of 6m7z by Molmil
A divergent kinase lacking the glycine-rich loop regulates membrane ultrastructure of the Toxoplasma parasitophorous vacuole
Descriptor: 1,2-ETHANEDIOL, Bradyzoite pseudokinase 1, CHLORIDE ION
Authors:Beraki, T, Borek, D.M, Reese, M.L.
Deposit date:2018-08-21
Release date:2018-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Divergent kinase regulates membrane ultrastructure of theToxoplasmaparasitophorous vacuole.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

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PDB entries from 2024-04-24

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