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7CAX
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BU of 7cax by Molmil
Crystal structure of bacterial reductase
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-ACP reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kim, Y, Lee, W.C.
Deposit date:2020-06-10
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:Crystal structure of bacterial reductase
To be published
7DZV
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BU of 7dzv by Molmil
Cyrstal structure of PETase E186A mutant from Rhizobacter gummiphilus
Descriptor: DLH domain-containing protein, GLYCEROL
Authors:Sagong, H.-Y, Kim, K.-J.
Deposit date:2021-01-26
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Implications for the PET decomposition mechanism through similarity and dissimilarity between PETases from Rhizobacter gummiphilus and Ideonella sakaiensis.
J Hazard Mater, 416, 2021
7DZT
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BU of 7dzt by Molmil
Cyrstal structure of PETase from Rhizobacter gummiphilus
Descriptor: DLH domain-containing protein
Authors:Sagong, H.-Y, Kim, K.-J.
Deposit date:2021-01-26
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Implications for the PET decomposition mechanism through similarity and dissimilarity between PETases from Rhizobacter gummiphilus and Ideonella sakaiensis.
J Hazard Mater, 416, 2021
7DZU
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BU of 7dzu by Molmil
Cyrstal structure of PETase K169A mutant from Rhizobacter gummiphilus
Descriptor: DLH domain-containing protein
Authors:Sagong, H.-Y, Kim, K.-J.
Deposit date:2021-01-26
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Implications for the PET decomposition mechanism through similarity and dissimilarity between PETases from Rhizobacter gummiphilus and Ideonella sakaiensis.
J Hazard Mater, 416, 2021
7ETY
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BU of 7ety by Molmil
Crystal structure of bifunctional indole-3-glycerol phosphate synthase / phosphoribosylanthranilate isomerase (trpC) from Corynebacterium glutamicum in complex with reduced 1-(O-carboxyphenylamino)-1-deoxyribulose 5-phosphate (rCdRP)
Descriptor: 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, GLYCEROL, Tryptophan biosynthesis protein TrpCF
Authors:Park, W.J, Kim, K.-J.
Deposit date:2021-05-15
Release date:2022-05-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal Structure and Functional Characterization of the Bifunctional N -(5'-Phosphoribosyl)anthranilate Isomerase-indole-3-glycerol-phosphate Synthase from Corynebacterium glutamicum
J.Agric.Food Chem., 69, 2021
7ETX
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BU of 7etx by Molmil
Crystal structure of bifunctional indole-3-glycerol phosphate synthase / phosphoribosylanthranilate isomerase (TrpC) from corynebacterium glutamicum
Descriptor: GLYCEROL, Tryptophan biosynthesis protein TrpCF
Authors:Prak, W.J, Kim, K.-J.
Deposit date:2021-05-15
Release date:2022-05-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure and Functional Characterization of the Bifunctional N -(5'-Phosphoribosyl)anthranilate Isomerase-indole-3-glycerol-phosphate Synthase from Corynebacterium glutamicum
J.Agric.Food Chem., 69, 2021
6JJL
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BU of 6jjl by Molmil
Crystal structure of the DegP dodecamer with a modulator
Descriptor: CYS-TYR-ARG-LYS-LEU, Periplasmic serine endoprotease DegP
Authors:Cho, H, Choi, Y, Lee, H.H, Kim, S.
Deposit date:2019-02-26
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Over-activation of a nonessential bacterial protease DegP as an antibiotic strategy.
Commun Biol, 3, 2020
6JJK
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BU of 6jjk by Molmil
Crystal structure of the DegP dodecamer with a modulator
Descriptor: CYS-TYR-TYR-LYS-ILE, Periplasmic serine endoprotease DegP
Authors:Cho, H, Choi, Y, Lee, H.H, Kim, S.
Deposit date:2019-02-26
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Over-activation of a nonessential bacterial protease DegP as an antibiotic strategy
Commun Biol, 3, 2020
6JJO
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BU of 6jjo by Molmil
Crystal structure of the DegP dodecamer with a modulator
Descriptor: Periplasmic serine endoprotease DegP, TMB-CYRKL modulator
Authors:Cho, H, Choi, Y, Lee, H.H, Kim, S.
Deposit date:2019-02-26
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.157 Å)
Cite:Over-activation of a nonessential bacterial protease DegP as an antibiotic strategy
Commun Biol, 3, 2020
6JTT
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BU of 6jtt by Molmil
MHETase in complex with BHET
Descriptor: 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase, ...
Authors:Sagong, H.-Y, Seo, H, Kim, K.-J.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Decomposition of PET film by MHETase using Exo-PETase function
Acs Catalysis, 10, 2020
6JTU
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BU of 6jtu by Molmil
Crystal structure of MHETase from Ideonella sakaiensis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Sagong, H.-Y, Seo, H, Kim, K.-J.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Decomposition of PET film by MHETase using Exo-PETase function
Acs Catalysis, 10, 2020
6KX8
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BU of 6kx8 by Molmil
Crystal structure of mouse Cryptochrome 2 in complex with TH301 compound
Descriptor: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-2
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX7
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BU of 6kx7 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with TH301 compound
Descriptor: 1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide, Cryptochrome-1
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX5
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BU of 6kx5 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL044 compound
Descriptor: 2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide, Cryptochrome-1
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX6
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BU of 6kx6 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL101 compound
Descriptor: Cryptochrome-1, ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX4
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BU of 6kx4 by Molmil
Crystal structure of mouse Cryptochrome 1 apo form
Descriptor: Cryptochrome-1
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6MNX
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BU of 6mnx by Molmil
Structural basis of impaired hydrolysis in KRAS Q61H mutant
Descriptor: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:KRASQ61HPreferentially Signals through MAPK in a RAF Dimer-Dependent Manner in Non-Small Cell Lung Cancer.
Cancer Res., 80, 2020
6AIY
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BU of 6aiy by Molmil
Crystal structure of DXO (E234A mutant) in complex with adenosine 3', 5' bisphosphate and two magnesium ions
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Decapping and exoribonuclease protein, MAGNESIUM ION
Authors:Chang, J.H, Tong, L.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Molecular mechanism for the inhibition of DXO by adenosine 3',5'-bisphosphate.
Biochem. Biophys. Res. Commun., 504, 2018
6AKV
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BU of 6akv by Molmil
Crystal structure of LysB4, the endolysin from Bacillus cereus-targeting bacteriophage B4
Descriptor: CHLORIDE ION, LysB4, SULFATE ION, ...
Authors:Hong, S, Ha, N.-C.
Deposit date:2018-09-03
Release date:2019-02-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of LysB4, an Endolysin fromBacillus cereus-Targeting Bacteriophage B4.
Mol. Cells, 42, 2019
6AIX
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BU of 6aix by Molmil
Crystal structure of DXO in complex with adenosine 3', 5' bisphosphate and two magnesium ions
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Decapping and exoribonuclease protein, MAGNESIUM ION
Authors:Chang, J.H, Tong, L.
Deposit date:2018-08-25
Release date:2018-10-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanism for the inhibition of DXO by adenosine 3',5'-bisphosphate.
Biochem. Biophys. Res. Commun., 504, 2018
6BVJ
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BU of 6bvj by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: 5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVL
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BU of 6bvl by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRAS, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVM
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BU of 6bvm by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVI
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BU of 6bvi by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: 6-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2017-12-13
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.746 Å)
Cite:Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6CUP
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BU of 6cup by Molmil
Ras:SOS:Ras in complex with a small molecule activator
Descriptor: FORMIC ACID, GLYCEROL, GTPase HRas, ...
Authors:Phan, J, Abbott, J, Fesik, S.W.
Deposit date:2018-03-26
Release date:2019-02-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018

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