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8OKP
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BU of 8okp by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_33
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OLK
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BU of 8olk by Molmil
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_13
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 2, ZINC ION, ...
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
8OMP
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BU of 8omp by Molmil
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI33
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
6XKG
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BU of 6xkg by Molmil
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 6S sulfation
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ...
著者Pedersen, L.C, Liu, J, Wander, R.
登録日2020-06-26
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
6XL8
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BU of 6xl8 by Molmil
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with no 6S sulfation
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 3A1, IODIDE ION, ...
著者Pedersen, L.C, Liu, J, Wander, R.
登録日2020-06-28
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
8Q7I
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BU of 8q7i by Molmil
PCNA from Chaetomium thermophilum in complex with Fen1 peptide
分子名称: Flap endonuclease 1, Proliferating cell nuclear antigen, SODIUM ION
著者Alphey, M.S, Wolford, C.B, MacNeill, S.A.
登録日2023-08-16
公開日2023-12-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Canonical binding of Chaetomium thermophilum DNA polymerase delta / zeta subunit PolD3 and flap endonuclease Fen1 to PCNA.
Front Mol Biosci, 10, 2023
6YLM
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BU of 6ylm by Molmil
mCherry
分子名称: CHLORIDE ION, mCherry
著者Myskova, J, Rybakova, M, Brynda, J, Lazar, J.
登録日2020-04-07
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YLP
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BU of 6ylp by Molmil
EGFP_in_Acidic_env Directionality of Optical Properties of Fluorescent Proteins
分子名称: PHOSPHATE ION, eGFP_in_Acidic_env
著者Myskova, J, Rybakova, O, Brynda, J, Lazar, J.
登録日2020-04-07
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YLQ
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BU of 6ylq by Molmil
EGFP in neutral pH, Directionality of Optical Properties of Fluorescent Proteins
分子名称: GLYCEROL, MAGNESIUM ION, eGFP
著者Myskova, J, Rybakova, M, Brynda, J, Lazar, J.
登録日2020-04-07
公開日2020-12-16
最終更新日2021-01-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6Y04
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BU of 6y04 by Molmil
Crystal structure of beta-carbonic anhydrase isoform I (TvaCA1) from the Trichomonas vaginalis protozoan.
分子名称: Carbonic anhydrase, ZINC ION
著者Di Fiore, A, De Simone, G.
登録日2020-02-06
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Biochemical and structural characterisation of a protozoan beta-carbonic anhydrase fromTrichomonas vaginalis.
J Enzyme Inhib Med Chem, 35, 2020
7N4Z
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BU of 7n4z by Molmil
Complex structure of NOS4 with noscapine
分子名称: NOS4, SULFATE ION, noscapine
著者Kim, W, Zhang, Y.
登録日2021-06-04
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N53
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BU of 7n53 by Molmil
Complex structure of PAP4 with papaverine
分子名称: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ...
著者Kim, W, Zhang, Y.
登録日2021-06-04
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N54
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BU of 7n54 by Molmil
Complex structure of GLAU4 with glaucine
分子名称: GLAU4, SULFATE ION, glaucine
著者Kim, W, Zhang, Y.
登録日2021-06-04
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
8QV4
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BU of 8qv4 by Molmil
Hexameric HIV-1 CA in complex with DDD01728503
分子名称: 1,2-ETHANEDIOL, Spacer peptide 1, ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate
著者Petit, A.P, Fyfe, P.K.
登録日2023-10-17
公開日2024-03-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
7ST5
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BU of 7st5 by Molmil
Structure of Fab CC-95251 in complex with SIRP-alpha
分子名称: 1,2-ETHANEDIOL, Fab CC-95251 anti-SIRP-alpha heavy chain, Fab CC-95251 anti-SIRP-alpha light chain, ...
著者Fenalti, G.
登録日2021-11-12
公開日2023-05-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Preclinical Activity of BMS-986351, an Antibody to SIRP alpha That Enhances Macrophage-mediated Tumor Phagocytosis When Combined with Opsonizing Antibodies.
Cancer Res Commun, 4, 2024
6YJM
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BU of 6yjm by Molmil
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972
分子名称: (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ...
著者Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M.
登録日2020-04-03
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
8OLF
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BU of 8olf by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982
分子名称: Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKJ
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BU of 8okj by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OLA
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BU of 8ola by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK4
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OMH
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BU of 8omh by Molmil
Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl (BS1982)
分子名称: Carbonic anhydrase 2, ZINC ION, [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKO
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BU of 8oko by Molmil
Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_2
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OKT
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Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK42
分子名称: Carbonic anhydrase 2, ZINC ION, [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published
8OLM
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BU of 8olm by Molmil
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI1
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
8OMB
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BU of 8omb by Molmil
Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl VK42
分子名称: Carbonic anhydrase 2, ZINC ION, [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Carbonic Anhydrase in Complex with Steriod_Sulphamoyl
To Be Published
8OMN
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Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl VK4
分子名称: Carbonic anhydrase 2, ZINC ION, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate
著者Brynda, J, Rezacova, P.M, Kudova, E.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl
To Be Published

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件を2024-08-14に公開中

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