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8TCW
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BU of 8tcw by Molmil
Structure of PYCR1 complexed with 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
分子名称: 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
7LJO
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BU of 7ljo by Molmil
Structure of the Bacteroides fragilis CD-NTase CdnB in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CD-NTase, MAGNESIUM ION
著者Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.T, Kranzusch, P.J.
登録日2021-01-29
公開日2021-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense.
Cell Rep, 35, 2021
8AUJ
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BU of 8auj by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
7BPS
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BU of 7bps by Molmil
Crystal structure of mouse TEX101
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ...
著者Masutani, M, Sakurai, S, Shimizu, T, Ohto, U.
登録日2020-03-23
公開日2020-07-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
7LJN
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BU of 7ljn by Molmil
Structure of the Bradyrhizobium diazoefficiens CD-NTase CdnG in complex with GTP
分子名称: CD-NTase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.T, Kranzusch, P.J.
登録日2021-01-29
公開日2021-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense.
Cell Rep, 35, 2021
8AUL
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BU of 8aul by Molmil
OPR3 Y190F in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
分子名称: 12-oxophytodienoate reductase 3, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, DI(HYDROXYETHYL)ETHER, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
7BQ4
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BU of 7bq4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, ...
著者Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
登録日2020-03-23
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
8AH5
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BU of 8ah5 by Molmil
Crystal Structure of the third PDZ domain of PSD-95 protein in the space group P212121 at pH 4.6
分子名称: ACETATE ION, cDNA FLJ50577, highly similar to Discs large homolog 4
著者Camara-Artigas, A, Salinas Garcia, M.C.
登録日2022-07-20
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献pH-Driven Polymorphic Behaviour of the Third PDZ Domain of PSD95: The Role of Electrostatic Interactions
Crystals, 2023
6H8D
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BU of 6h8d by Molmil
MamM CTD D249N - Nickel form
分子名称: BETA-MERCAPTOETHANOL, Magnetosome protein MamM, Cation efflux protein family, ...
著者Barber-Zucker, S, Zarivach, R.
登録日2018-08-02
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献MamM CTD D249N - Nickel form
To Be Published
8TCX
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BU of 8tcx by Molmil
Structure of PYCR1 complexed with 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
分子名称: 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography.
J.Chem.Inf.Model., 64, 2024
8AKK
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BU of 8akk by Molmil
Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
6H8I
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BU of 6h8i by Molmil
MamM CTD H285D
分子名称: BETA-MERCAPTOETHANOL, Magnetosome protein MamM, Cation efflux protein family, ...
著者Barber-Zucker, S, Zarivach, R.
登録日2018-08-02
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献MamM CTD H285D
To Be Published
7LC0
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BU of 7lc0 by Molmil
Structure of D-Glucosaminate-6-phosphate Ammonia-lyase
分子名称: ACETIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Phillips, R.S.
登録日2021-01-09
公開日2021-06-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid.
Biochemistry, 60, 2021
8AKI
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BU of 8aki by Molmil
Acyl-enzyme complex of ampicillin bound to deacylation mutant KPC-2 (E166Q)
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
6H8S
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BU of 6h8s by Molmil
CRYSTAL STRUCTURE OF THE MOUSE PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND BI-0314
分子名称: 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine, Tyrosine-protein phosphatase non-receptor type 5
著者Fiegen, D, Schnapp, G.
登録日2018-08-03
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
7S87
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BU of 7s87 by Molmil
Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01
分子名称: (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-09-17
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01
To Be Published
7LCE
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BU of 7lce by Molmil
Structure of D-Glucosaminate-6-phosphate Ammonia-lyase
分子名称: CALCIUM ION, D-glucosaminate-6-phosphate ammonia lyase, DIMETHYL SULFOXIDE
著者Phillips, R.S.
登録日2021-01-10
公開日2021-06-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid.
Biochemistry, 60, 2021
6BSE
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BU of 6bse by Molmil
Glucocorticoid receptor bound to high cooperativity monomer sequence
分子名称: DNA (5'-D(P*AP*CP*CP*AP*CP*GP*TP*GP*TP*AP*CP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*TP*AP*AP*AP*AP*AP*GP*TP*AP*CP*AP*CP*GP*TP*GP*G)-3'), Glucocorticoid receptor, ...
著者Pufall, M.A.
登録日2017-12-02
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献General and sequence-specific roles for DNA in glucocorticoid receptor DNA-binding stoichiometry
To Be Published
6H83
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BU of 6h83 by Molmil
MamM CTD D249H - Copper form
分子名称: BETA-MERCAPTOETHANOL, COPPER (II) ION, Magnetosome protein MamM, ...
著者Barber-Zucker, S, Zarivach, R.
登録日2018-08-01
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献MamM CTD D249H - Copper form
To Be Published
8AKM
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BU of 8akm by Molmil
Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q)
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-07-29
公開日2023-03-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase.
J.Am.Chem.Soc., 145, 2023
7C1L
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BU of 7c1l by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
著者Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
登録日2020-05-05
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
6H85
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BU of 6h85 by Molmil
MamM CTD H264E-E289H - Cadmium form
分子名称: BETA-MERCAPTOETHANOL, CADMIUM ION, Magnetosome protein MamM, ...
著者Barber-Zucker, S, Zarivach, R.
登録日2018-08-01
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献MamM CTD H264E-E289H - Cadmium form
To Be Published
6H89
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BU of 6h89 by Molmil
MamM CTD D249N - Copper form
分子名称: BETA-MERCAPTOETHANOL, COPPER (II) ION, Magnetosome protein MamM, ...
著者Barber-Zucker, S, Zarivach, R.
登録日2018-08-02
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献MamM CTD D249N - Copper form
To Be Published
7S5A
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BU of 7s5a by Molmil
Crystal structure of human chemokine CCL8
分子名称: C-C motif chemokine 8
著者Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-10
公開日2021-09-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
6BWG
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BU of 6bwg by Molmil
Crystal structure of native Rv2983 from Mycobacterium tuberculosis
分子名称: 2-phospho-L-lactate guanylyltransferase
著者Bashiri, G, Jirgis, E.N.M, Baker, E.N.
登録日2017-12-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A revised biosynthetic pathway for the cofactor F420in prokaryotes.
Nat Commun, 10, 2019

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件を2024-11-06に公開中

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