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8IS4
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BU of 8is4 by Molmil
Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-FLUOROURACIL, GLYCEROL, ...
Authors:Guo, W.T, Li, X.J, Wu, B.X.
Deposit date:2023-03-20
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
8IHR
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BU of 8ihr by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with Phe
Descriptor: Amidohydrolase family protein, PHENYLALANINE, ZINC ION
Authors:Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2023-02-23
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
8IHQ
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BU of 8ihq by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3
Descriptor: Amidohydrolase family protein, ZINC ION
Authors:Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2023-02-23
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
8I0C
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BU of 8i0c by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703
Descriptor: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, He, S, Liu, Y, Fang, P, Sun, H.
Deposit date:2023-01-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
2ZBZ
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BU of 2zbz by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D3
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T.
Deposit date:2007-10-30
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
7JWK
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BU of 7jwk by Molmil
Crystal Structure of Glyceraldehyde-3-phosphate Dehydrogenase (GAPDH) from Mycoplasma genitalium with bound NAD
Descriptor: DI(HYDROXYETHYL)ETHER, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-08-25
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Glyceraldehyde-3-phosphate Dehydrogenase (GAPDH) from Mycoplasma genitalium with bound NAD
to be published
7JY5
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BU of 7jy5 by Molmil
Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97)
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Pan, M, Yu, Y, Liu, L, Zhao, M.
Deposit date:2020-08-28
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative.
Nat Commun, 12, 2021
8IBO
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BU of 8ibo by Molmil
Crystal structure of Wild-Type Mycobacterium tuberculosis ClpC1 N-terminal domain in complex with Lassomycin
Descriptor: ACETATE ION, Lassomycin, Negative regulator of genetic competence ClpC/mecB
Authors:Jagdev, M.K, Vasudevan, D.
Deposit date:2023-02-10
Release date:2023-09-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of the N-terminal domain of MtClpC1 in complex with the anti-mycobacterial natural peptide Lassomycin.
Int.J.Biol.Macromol., 253, 2023
8IBP
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BU of 8ibp by Molmil
Crystal structure of Mycobacterium tuberculosis R21K ClpC1 N-terminal domain in complex with Lassomycin
Descriptor: ACETATE ION, Lassomycin, Negative regulator of genetic competence ClpC/mecB
Authors:Jagdev, M.K, Vasudevan, D.
Deposit date:2023-02-10
Release date:2023-09-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the N-terminal domain of MtClpC1 in complex with the anti-mycobacterial natural peptide Lassomycin.
Int.J.Biol.Macromol., 253, 2023
7KN8
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BU of 7kn8 by Molmil
Crystal structure of the GH74 xyloglucanase from Xanthomonas campestris (Xcc1752)
Descriptor: 1,2-ETHANEDIOL, Cellulase, IODIDE ION, ...
Authors:Araujo, E.A, Vieira, P.S, Murakami, M.T, Polikarpov, I.
Deposit date:2020-11-04
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Xyloglucan processing machinery in Xanthomonas pathogens and its role in the transcriptional activation of virulence factors
Nature Communications, 12, 2021
7L0E
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BU of 7l0e by Molmil
Crystal structure of bovine RPE65 in complex with gem-difluoro emixustat and palmitate
Descriptor: (1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D.
Deposit date:2020-12-11
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.
J.Med.Chem., 64, 2021
2Z9D
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BU of 2z9d by Molmil
The crystal structure of AzoR (azoreductase) from Escherichia coli: Oxidized AzoR in orthorhombic crystals
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ito, K.
Deposit date:2007-09-18
Release date:2008-03-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Expansion of Substrate Specificity and Catalytic Mechanism of Azoreductase by X-ray Crystallography and Site-directed Mutagenesis
J.Biol.Chem., 283, 2008
8IM3
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BU of 8im3 by Molmil
Crystal structure of human HPPD complexed with compound a10
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
Authors:Dong, J, Lin, H.-Y.
Deposit date:2023-03-05
Release date:2023-10-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
8IM2
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BU of 8im2 by Molmil
Crystal structure of human HPPD complexed with NTBC
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, ...
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-03-05
Release date:2023-10-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
7KWA
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BU of 7kwa by Molmil
Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide
Descriptor: Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
Authors:Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C.
Deposit date:2020-11-30
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.572 Å)
Cite:Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M.
J.Med.Chem., 64, 2021
7L1Y
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BU of 7l1y by Molmil
Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium-xylobiose complex
Descriptor: 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E.
Deposit date:2020-12-15
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium.
Biotechnol.Bioeng., 118, 2021
7L1W
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BU of 7l1w by Molmil
Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Exo-B-1,4-beta-xylanase
Authors:Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E.
Deposit date:2020-12-15
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium.
Biotechnol.Bioeng., 118, 2021
8I53
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BU of 8i53 by Molmil
Solution structure of the PH domain from the Tfb1 subunit of fission yeast TFIIH
Descriptor: General transcription and DNA repair factor IIH subunit tfb1
Authors:Okuda, M, Nishimura, Y.
Deposit date:2023-01-23
Release date:2023-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural polymorphism of the PH domain in TFIIH.
Biosci.Rep., 43, 2023
8IR4
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BU of 8ir4 by Molmil
Crystal structure of the SLF1 BRCT domain in complex with a Rad18 peptide containing pS442
Descriptor: CHLORIDE ION, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
Authors:Xiang, S, Huang, W, Qiu, F.
Deposit date:2023-03-17
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural insights into Rad18 targeting by the SLF1 BRCT domains.
J.Biol.Chem., 299, 2023
8IR2
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BU of 8ir2 by Molmil
Crystal structure of the SLF1 BRCT domain in complex with a Rad18 peptide containing pS442 and pS444
Descriptor: CHLORIDE ION, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
Authors:Xiang, S, Huang, W, Qiu, F.
Deposit date:2023-03-17
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into Rad18 targeting by the SLF1 BRCT domains.
J.Biol.Chem., 299, 2023
8IMH
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BU of 8imh by Molmil
Solution structure of the N terminal domain of MazE9 antitoxin (nMazE9) from Mycobacterium tuberculosis
Descriptor: Antitoxin MazE9
Authors:Basu Roy, T, Sarma, S.P.
Deposit date:2023-03-06
Release date:2023-11-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into the solution structure and transcriptional regulation of the MazE9 antitoxin in Mycobacterium tuberculosis.
Proteins, 2023
8IHW
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BU of 8ihw by Molmil
X-ray crystal structure of D43R mutant of endo-1,4-beta glucanase from Eisenia fetida
Descriptor: CALCIUM ION, Endoglucanase, GLYCEROL, ...
Authors:Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M.
Deposit date:2023-02-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
8IHX
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BU of 8ihx by Molmil
X-ray crystal structure of N372D mutant of endo-1,4-beta glucanase from Eisenia fetida
Descriptor: CALCIUM ION, Endoglucanase, GLYCEROL, ...
Authors:Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M.
Deposit date:2023-02-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
8IHY
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BU of 8ihy by Molmil
X-ray crystal structure of Q387E mutant of endo-1,4-beta glucanase from Eisenia fetida
Descriptor: CALCIUM ION, Endoglucanase, GLYCEROL, ...
Authors:Kuroki, C, Hirano, Y, Nakazawa, M, Sakamoto, T, Tamada, T, Ueda, M.
Deposit date:2023-02-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A single mutation Asp43Arg was increased 2.5-fold the catalytic activity and maintained the stability of cold-adapted endo-1,4-beta glucanase (Ef-EG2) from Eisenia fetida.
Curr Res Biotechnol, 5, 2023
8HXH
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BU of 8hxh by Molmil
Crystal structure of AtHPPD-Y18024 complex
Descriptor: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-04
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Crystal structure of AtHPPD-Y18024 complex
To Be Published

222415

数据于2024-07-10公开中

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