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6KJT
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BU of 6kjt by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: Putative beta-lactamase, SUCCINIC ACID
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
7NS9
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BU of 7ns9 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and calcium
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Vogt, M.S, Essen, L.-O, Banerjee, A.
登録日2021-03-05
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
6C3A
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BU of 6c3a by Molmil
O2-, PLP-dependent L-arginine hydroxylase RohP 4-hydroxy-2-ketoarginine complex
分子名称: (4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Hedges, J.B, Ryan, K.S.
登録日2018-01-09
公開日2018-03-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
ACS Chem. Biol., 13, 2018
6BW6
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BU of 6bw6 by Molmil
Human GPT (DPAGT1) H129 variant in complex with tunicamycin
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase
著者Yoo, J, Kuk, A.C.Y, Mashalidis, E.H, Lee, S.-Y.
登録日2017-12-14
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献GlcNAc-1-P-transferase-tunicamycin complex structure reveals basis for inhibition of N-glycosylation.
Nat. Struct. Mol. Biol., 25, 2018
7NP6
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BU of 7np6 by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM257
分子名称: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma
著者Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2021-02-26
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
7NSA
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BU of 7nsa by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with pyrophosphate and calcium
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Vogt, M.S, Essen, L.-O, Banerjee, A.
登録日2021-03-05
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
7NS8
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BU of 7ns8 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, Triphosphate tunnel metalloenzyme Saci_0718
著者Vogt, M.S, Essen, L.-O, Banerjee, A.
登録日2021-03-05
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
6K7S
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BU of 6k7s by Molmil
Crystal structure of thymidylate synthase from shrimp
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
7NSF
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BU of 7nsf by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and magnesium
分子名称: MAGNESIUM ION, TRIPHOSPHATE, Triphosphate tunnel metalloenzyme Saci_0718
著者Vogt, M.S, Essen, L.-O, Banerjee, A.
登録日2021-03-05
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
6D99
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BU of 6d99 by Molmil
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GalNAc (open, oxidized)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, SODIUM ION, ...
著者Wangkanont, K, Kiessling, L.L, Forest, K.T.
登録日2018-04-28
公開日2019-05-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
7NPC
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BU of 7npc by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM156
分子名称: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2021-02-26
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
6D7F
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BU of 6d7f by Molmil
Bacteroides uniformis beta-glucuronidase 1 bound to thiophenyl-beta-D-glucuronide
分子名称: Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, GLYCEROL, ...
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-24
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
7NP5
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BU of 7np5 by Molmil
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216
分子名称: 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid, Nuclear receptor ROR-gamma
著者Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
登録日2021-02-26
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t.
J.Med.Chem., 64, 2021
7NSD
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BU of 7nsd by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with ATP and calcium
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Vogt, M.S, Essen, L.-O, Banerjee, A.
登録日2021-03-05
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
6D8K
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BU of 6d8k by Molmil
Bacteroides multiple species beta-glucuronidase
分子名称: Glycosyl hydrolase family 2, sugar binding domain protein
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-26
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
7NYF
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BU of 7nyf by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-131
分子名称: 14-3-3 protein sigma, 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NZ6
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BU of 7nz6 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-125
分子名称: 14-3-3 protein sigma, 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-23
公開日2021-06-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
6D9F
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BU of 6d9f by Molmil
Protein 60 with aldehyde deformylating oxidase activity from Kitasatospora setae
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Putative VlmB homolog, ...
著者Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
登録日2018-04-28
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery, Design, and Structural Characterization of Alkane-Producing Enzymes across the Ferritin-like Superfamily.
Biochemistry, 59, 2020
7O3F
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BU of 7o3f by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-117
分子名称: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-01
公開日2021-06-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
6KEL
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BU of 6kel by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Senda, T, Niwa, R.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
7OA2
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BU of 7oa2 by Molmil
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with pyrophosphate
分子名称: POTASSIUM ION, PYROPHOSPHATE 2-, Triphosphate tunnel metalloenzyme Saci_0718
著者Vogt, M.S, Essen, L.-O, Banerjee, A.
登録日2021-04-19
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family.
J.Biol.Chem., 297, 2021
6DC5
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BU of 6dc5 by Molmil
RSV prefusion F in complex with AM22 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Jones, H.G, McLellan, J.S.
登録日2018-05-04
公開日2019-07-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
7NXS
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BU of 7nxs by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-184
分子名称: 14-3-3 protein sigma, 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-19
公開日2021-06-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NZV
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BU of 7nzv by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-120
分子名称: 14-3-3 protein sigma, 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-24
公開日2021-06-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O3R
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BU of 7o3r by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-042
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-02
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021

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件を2024-11-06に公開中

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