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4WTR
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BU of 4wtr by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose
Descriptor: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
7MX6
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BU of 7mx6 by Molmil
Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol
Descriptor: 4-(1H-pyrrol-1-yl)aniline, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Hunter, W.N, Cardoso, I.A, Nonato, M.C.
Deposit date:2021-05-18
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol
To be Published
7MYD
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BU of 7myd by Molmil
Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile
Descriptor: 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Cardoso, I.A, Hunter, W.N, Nonato, M.C.
Deposit date:2021-05-20
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile
To Be Published
6NNO
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BU of 6nno by Molmil
Xanthomonas citri Phospho-PGM in complex with glucose-1-phosphate
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2019-01-15
Release date:2019-04-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural and dynamical description of the enzymatic reaction of a phosphohexomutase.
Struct Dyn., 6, 2019
4WTS
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BU of 4wts by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaritriose
Descriptor: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
6O6E
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BU of 6o6e by Molmil
Crystal structure of PltF trapped with PltL using a proline adenosine vinylsulfonamide inhibitor
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, FORMIC ACID, ...
Authors:Corpuz, J.C, Podust, L.M.
Deposit date:2019-03-06
Release date:2020-04-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Dynamic visualization of type II peptidyl carrier protein recognition in pyoluteorin biosynthesis.
Rsc Chem Biol, 1, 2020
6P2G
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BU of 6p2g by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and D-ddCTP
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA Primer 20-mer, DNA template 27-mer, ...
Authors:Bertoletti, N, Anderson, K.S.
Deposit date:2019-05-21
Release date:2019-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
7O1Z
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BU of 7o1z by Molmil
Unspecific peroxygenase from Hypoxylon sp. EC38 in complex with S-1,2-propanediol
Descriptor: 1-BUTANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ...
Authors:Rotilio, L, Mattevi, A.
Deposit date:2021-03-30
Release date:2021-09-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.
Acs Catalysis, 11, 2021
6NOS
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BU of 6nos by Molmil
PD-L1 IgV domain V76T with fragment
Descriptor: 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine, Programmed cell death 1 ligand 1
Authors:Zhao, B, Perry, E.
Deposit date:2019-01-16
Release date:2019-02-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
7MY9
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BU of 7my9 by Molmil
Structure of proline utilization A with 1,3-dithiolane-2-carboxylate bound in the proline dehydrogenase active site
Descriptor: 1,3-dithiolane-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2021-05-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.628 Å)
Cite:Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
6O2Z
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BU of 6o2z by Molmil
Crystal structure of IDH1 R132H mutant in complex with compound 32
Descriptor: 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Toms, A.V, Lin, J.
Deposit date:2019-02-25
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
7XKQ
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BU of 7xkq by Molmil
F1 domain of FoF1-ATPase with the down form of epsilon subunit from Bacillus PS3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Nakano, A, Kishikawa, J, Nakanishi, A, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-04-20
Release date:2022-09-21
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of unisite catalysis of bacterial F 0 F 1 -ATPase.
Pnas Nexus, 1, 2022
6NNU
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BU of 6nnu by Molmil
Xanthomonas citri Phospho-PGM in complex with glucose-1,6-phosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2019-01-15
Release date:2019-04-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural and dynamical description of the enzymatic reaction of a phosphohexomutase.
Struct Dyn., 6, 2019
8F8M
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BU of 8f8m by Molmil
LRH-1 bound to small molecule Tet and fragment of coactivator Tif2
Descriptor: (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-11-22
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Isosteric improvements to liver receptor homolog-1 small molecule modulators
To Be Published
6VQS
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BU of 6vqs by Molmil
HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
Descriptor: IODIDE ION, Integrase, SULFATE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-02-05
Release date:2021-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
To Be Published
6YU9
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BU of 6yu9 by Molmil
CO-dehydrogenase homodimer from Clostridium autoethanogenum at 1.90-A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Wagner, T, Lemaire, O.N.
Deposit date:2020-04-26
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Gas channel rerouting in a primordial enzyme: Structural insights of the carbon-monoxide dehydrogenase/acetyl-CoA synthase complex from the acetogen Clostridium autoethanogenum.
Biochim Biophys Acta Bioenerg, 1862, 2020
6O2Y
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BU of 6o2y by Molmil
Crystal structure of IDH1 R132H mutant in complex with compound 24
Descriptor: 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Toms, A.V, Lin, J.
Deposit date:2019-02-25
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
6X1Q
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BU of 6x1q by Molmil
1.8 Angstrom resolution structure of b-galactosidase with a 200 kV cryoARM electron microscope
Descriptor: Beta-galactosidase, MAGNESIUM ION, SODIUM ION
Authors:Merk, A, Fukumura, T, Zhu, X, Darling, J, Grisshammer, R, Ognjenovic, J, Subramaniam, S.
Deposit date:2020-05-19
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (1.8 Å)
Cite:1.8 angstrom resolution structure of beta-galactosidase with a 200 kV CRYO ARM electron microscope.
Iucrj, 7, 2020
6X1U
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BU of 6x1u by Molmil
Structure of pHis Fab (SC39-4) in complex with pHis mimetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ACLYana-3-pTza peptide, ...
Authors:Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T.
Deposit date:2020-05-19
Release date:2021-02-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 118, 2021
7XKH
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BU of 7xkh by Molmil
Nucleotide-depleted F1 domain of FoF1-ATPase from Bacillus PS3, state1
Descriptor: ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit alpha, ...
Authors:Nakano, A, Kishikawa, J, Nakanishi, A, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-04-19
Release date:2022-09-21
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of unisite catalysis of bacterial F 0 F 1 -ATPase.
Pnas Nexus, 1, 2022
7XKO
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BU of 7xko by Molmil
F1 domain of epsilon C-terminal domain deleted FoF1 from Bacillus PS3,state1,nucleotide depeleted
Descriptor: ATP synthase gamma chain, ATP synthase subunit alpha, ATP synthase subunit beta, ...
Authors:Nakano, A, Kishikawa, J, Nakanishi, A, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-04-20
Release date:2022-09-21
Last modified:2025-09-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of unisite catalysis of bacterial F 0 F 1 -ATPase.
Pnas Nexus, 1, 2022
7XKR
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BU of 7xkr by Molmil
F1 domain of FoF1-ATPase with the up form of epsilon subunit from Bacillus PS3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Nakano, A, Kishikawa, J, Nakanishi, A, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-04-20
Release date:2022-09-21
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis of unisite catalysis of bacterial F 0 F 1 -ATPase.
Pnas Nexus, 1, 2022
7XKP
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BU of 7xkp by Molmil
F1 domain of epsilon C-terminal domain deleted FoF1 from Bacillus PS3,state1,unisite condition
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma chain, ATP synthase subunit alpha, ...
Authors:Nakano, A, Kishikawa, J, Nakanishi, A, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-04-20
Release date:2022-09-21
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of unisite catalysis of bacterial F 0 F 1 -ATPase.
Pnas Nexus, 1, 2022
6NNN
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BU of 6nnn by Molmil
Xanthomonas citri Dephospho-PGM in complex with glucose-1-phosphate
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2019-01-15
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and dynamical description of the enzymatic reaction of a phosphohexomutase.
Struct Dyn., 6, 2019
6W4C
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BU of 6w4c by Molmil
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5
Descriptor: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:Ferguson, A.D.
Deposit date:2020-03-10
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021

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数据于2025-10-01公开中

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