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6ZEX
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BU of 6zex by Molmil
Keap1 kelch domain bound to a small molecule fragment
Descriptor: 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZEZ
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BU of 6zez by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, Kelch-like ECH-associated protein 1
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF5
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BU of 6zf5 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2020-06-16
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6Z2H
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BU of 6z2h by Molmil
Citryl-CoA lyase module of human ATP citrate lyase in complex with (3S)-citryl-CoA.
Descriptor: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ATP-citrate synthase, ...
Authors:Verschueren, K.H.G, Verstraete, K.
Deposit date:2020-05-15
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
Descriptor: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
7A9I
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BU of 7a9i by Molmil
Crystal structure of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
7A9J
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BU of 7a9j by Molmil
Crystal structure of the R395G mutant form of Coronafacic Acid Ligase from Pectobacterium brasiliense
Descriptor: 6-ethyl-1-oxidanylidene-indene-4-carboxylic acid, Cfl, PHOSPHATE ION
Authors:Levy, C.W.
Deposit date:2020-09-02
Release date:2021-05-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery, characterization and engineering of ligases for amide synthesis.
Nature, 593, 2021
6TX7
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BU of 6tx7 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PIPERIDONE
Descriptor: CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TX5
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BU of 6tx5 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 4-METHYLIMIDAZOLE
Descriptor: 4-METHYLIMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, SODIUM ION
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
7ABB
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BU of 7abb by Molmil
The truncated structure of the Bottromycin biosynthetic protein SalCYP
Descriptor: HEME C, SalCYP truncation
Authors:Adam, S, Koehnke, J.
Deposit date:2020-09-07
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.50004339 Å)
Cite:Characterization of the Stereoselective P450 Enzyme BotCYP Enables the In Vitro Biosynthesis of the Bottromycin Core Scaffold.
J.Am.Chem.Soc., 142, 2020
7AYG
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BU of 7ayg by Molmil
oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-12
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
7B2E
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BU of 7b2e by Molmil
quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-26
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
7A1A
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BU of 7a1a by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
Descriptor: Amidohydrolase 2, CALCIUM ION, MAGNESIUM ION
Authors:Hofer, G, Keller, W.
Deposit date:2020-08-12
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
7AM1
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BU of 7am1 by Molmil
Structure of yeast Ssd1, a pseudonuclease
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, Protein SSD1
Authors:Cook, A.G, Jayachandran, U.
Deposit date:2020-10-07
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Yeast Ssd1 is a non-enzymatic member of the RNase II family with an alternative RNA recognition site.
Nucleic Acids Res., 50, 2022
8OOR
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BU of 8oor by Molmil
CryoEM Structure INO80core Hexasome complex Rvb core refinement state2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOK
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BU of 8ook by Molmil
CryoEM Structure INO80core Hexasome complex Arp5 grappler refinement state1
Descriptor: Actin-related protein 5
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (5.69 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OO9
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BU of 8oo9 by Molmil
CryoEM Structure INO80core Hexasome complex ATPase-DNA refinement state1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromatin-remodeling ATPase INO80, DNA strand 1, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-04
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOT
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BU of 8oot by Molmil
CryoEM Structure INO80core Hexasome complex Arp5 Ies6 refinement state2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling complex subunit IES6, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOA
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BU of 8ooa by Molmil
CryoEM Structure INO80core Hexasome complex Hexasome refinement state1
Descriptor: DNA Strand 2, DNA strand 1, Histone H2A, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-04
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOP
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BU of 8oop by Molmil
CryoEM Structure INO80core Hexasome complex composite model state2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOS
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BU of 8oos by Molmil
CryoEM Structure INO80core Hexasome complex ATPase-hexasome refinement state 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromatin-remodeling ATPase Ino80, DNA Strand 2, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOF
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BU of 8oof by Molmil
CryoEM Structure INO80core Hexasome complex Arp5 Ies6 refinement state1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling complex subunit IES6, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-05
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OO7
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BU of 8oo7 by Molmil
CryoEM Structure INO80core Hexasome complex composite model state1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, ...
Authors:Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
Deposit date:2023-04-04
Release date:2023-07-26
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8P0E
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BU of 8p0e by Molmil
Rubella virus p150 macro domain in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein p200
Authors:Stoll, G.A, Modis, Y.
Deposit date:2023-05-10
Release date:2024-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal structure and biochemical activity of the macrodomain from rubella virus p150.
J.Virol., 98, 2024

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PDB entries from 2024-11-13

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