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5LVU
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BU of 5lvu by Molmil
XiaF (apo) from Streptomyces sp.
Descriptor: SULFATE ION, XiaF protein
Authors:Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C.
Deposit date:2016-09-14
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification.
Nat Commun, 8, 2017
5LVW
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BU of 5lvw by Molmil
XiaF (FADH2) from Streptomyces sp.
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, INDOLE, SULFATE ION, ...
Authors:Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C.
Deposit date:2016-09-14
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification.
Nat Commun, 8, 2017
5MR6
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BU of 5mr6 by Molmil
XiaF from Streptomyces sp. in complex with FADH2 and Glycerol
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, XiaF protein
Authors:Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C.
Deposit date:2016-12-21
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification.
Nat Commun, 8, 2017
3GH5
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BU of 3gh5 by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with GlcNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, beta-hexosaminidase
Authors:Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-03-03
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids
J.Mol.Biol., 392, 2009
3GH7
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BU of 3gh7 by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12 in complex with GalNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, SULFATE ION, beta-hexosaminidase
Authors:Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-03-03
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids
J.Mol.Biol., 392, 2009
3GH4
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BU of 3gh4 by Molmil
Crystal structure of beta-hexosaminidase from Paenibacillus sp. TS12
Descriptor: ACETIC ACID, SULFATE ION, beta-hexosaminidase
Authors:Sumida, T, Ishii, R, Yanagisawa, T, Yokoyama, S, Ito, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-03-03
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular cloning and crystal structural analysis of a novel beta-N-acetylhexosaminidase from Paenibacillus sp. TS12 capable of degrading glycosphingolipids
J.Mol.Biol., 392, 2009
2ZOX
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BU of 2zox by Molmil
Crystal Structure of the Covalent Intermediate of Human Cytosolic beta-Glucosidase
Descriptor: 4-nitrophenyl alpha-D-glucopyranoside, Cytosolic beta-glucosidase, GLYCEROL, ...
Authors:Noguchi, J, Hayashi, Y, Baba, Y, Okino, N, Kimura, M, Ito, M, Kakuta, Y.
Deposit date:2008-06-17
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the covalent intermediate of human cytosolic beta-glucosidase
Biochem.Biophys.Res.Commun., 374, 2008
2ZWI
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BU of 2zwi by Molmil
Crystal structure of alpha/beta-Galactoside alpha-2,3-Sialyltransferase from a Luminous Marine Bacterium, Photobacterium phosphoreum
Descriptor: Alpha-/beta-galactoside alpha-2,3-sialyltransferase, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Iwatani, T, Okino, N, Sakakura, M, Kajiwara, H, Ichikawa, M, Takakura, Y, Kimura, M, Ito, M, Yamamoto, T, Kakuta, Y.
Deposit date:2008-12-05
Release date:2009-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of alpha/beta-galactoside alpha2,3-sialyltransferase from a luminous marine bacterium, Photobacterium phosphoreum
Febs Lett., 583, 2009
7F1G
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BU of 7f1g by Molmil
BACE2 xaperone complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
Descriptor: Beta-secretase 2, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide, XAPERONE
Authors:Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
Deposit date:2021-06-09
Release date:2022-02-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
7F1D
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BU of 7f1d by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-2H,3H-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
Descriptor: Beta-secretase 1, IODIDE ION, N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide
Authors:Ueno, T, Matsuoka, E, Asada, N, Yamamoto, S, Kanegawa, N, Ito, M, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
Deposit date:2021-06-09
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Extremely Selective Fused Pyridine-Derived beta-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
J.Med.Chem., 64, 2021
2Z4T
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BU of 2z4t by Molmil
Crystal Structure of Vibrionaceae Photobacterium sp. JT-ISH-224 2,6-sialyltransferase in a Ternary Complex with Donor Product CMP and Accepter Substrate Lactose
Descriptor: Beta-galactoside alpha-2,6-sialyltransferase, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
Authors:Kakuta, Y, Okino, N, Kajiwara, H, Ichikawa, M, Takakura, Y, Ito, M, Yamamoto, T.
Deposit date:2007-06-25
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Vibrionaceae Photobacterium sp. JT-ISH-224 alpha2,6-sialyltransferase in a ternary complex with donor product CMP and acceptor substrate lactose: catalytic mechanism and substrate recognition
Glycobiology, 18, 2008
2ZSC
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BU of 2zsc by Molmil
Tamavidin2, Novel Avidin-like Biotin-Binding Proteins from an Edible Mushroom
Descriptor: BIOTIN, GLYCEROL, MAGNESIUM ION, ...
Authors:Kakuta, Y, Okino, N, Ito, M, Yamamoto, T, Takakura, Y.
Deposit date:2008-09-05
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tamavidins--novel avidin-like biotin-binding proteins from the Tamogitake mushroom
Febs J., 276, 2009
2ZXC
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BU of 2zxc by Molmil
Ceramidase complexed with C2
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, MAGNESIUM ION, ...
Authors:Okano, H, Inoue, T, Okino, N, Kakuta, Y, Matsumura, H, Ito, M.
Deposit date:2008-12-22
Release date:2009-02-03
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase.
J.Biol.Chem., 284, 2009
2ZWS
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BU of 2zws by Molmil
Crystal Structure Analysis of neutral ceramidase from Pseudomonas aeruginosa
Descriptor: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Kakuta, Y, Okino, N, Inoue, T, Okano, H, Ito, M.
Deposit date:2008-12-17
Release date:2009-03-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanistic insights into the hydrolysis and synthesis of ceramide by neutral ceramidase.
J.Biol.Chem., 284, 2009
2E9L
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BU of 2e9l by Molmil
Crystal Structure of human Cytosolic Neutral beta-Glycosylceramidase (Klotho-related Prote:KLrP) complex with Glucose and fatty acids
Descriptor: Cytosolic beta-glucosidase, GLYCEROL, OLEIC ACID, ...
Authors:Kakuta, Y, Hayashi, Y, Okino, N, Ito, M.
Deposit date:2007-01-25
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Klotho-related protein is a novel cytosolic neutral beta-glycosylceramidase.
J.Biol.Chem., 282, 2007
2E9M
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BU of 2e9m by Molmil
Crystal Structure of human Cytosolic Neutral beta-Glycosylceramidase (Klotho-related Prote:KLrP) complex with Galactose and fatty acids
Descriptor: Cytosolic beta-glucosidase, OLEIC ACID, PALMITIC ACID, ...
Authors:Kakuta, Y, Hayashi, Y, Okino, N, Ito, M.
Deposit date:2007-01-25
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Klotho-related protein is a novel cytosolic neutral beta-glycosylceramidase.
J.Biol.Chem., 282, 2007
3VKK
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BU of 3vkk by Molmil
Crystal Structure Of The Covalent Intermediate Of Human Cytosolic Beta-Glucosidase-mannose complex
Descriptor: CHLORIDE ION, Cytosolic beta-glucosidase, GLYCEROL, ...
Authors:Noguchi, J, Hayashi, Y, Okino, N, Ito, M, Kimura, M, Kakuta, Y.
Deposit date:2011-11-17
Release date:2012-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for inhibition mechanism of human cytosolic beta-glucosidase by monnoside
To be Published
6CKX
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BU of 6ckx by Molmil
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
Authors:Klein, M.G.
Deposit date:2018-03-01
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
6XOG
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BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOH
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BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
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BU of 6xoi by Molmil
Structure of SUMO1-ML00752641 adduct bound to SAE
Descriptor: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
Authors:Sintchak, M, Lane, W, Bump, N.
Deposit date:2020-07-07
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
5URM
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BU of 5urm by Molmil
Crystal structure of human BRR2 in complex with T-1206548
Descriptor: 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Klein, M.G, Tjhen, R, Qin, L.
Deposit date:2017-02-11
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URJ
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BU of 5urj by Molmil
Crystal structure of human BRR2 in complex with T-3905516
Descriptor: 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Klein, M.G, Tjhen, R, Qin, L.
Deposit date:2017-02-10
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URK
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BU of 5urk by Molmil
Crystal structure of human BRR2 in complex with T-3935799
Descriptor: 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Qin, L, Tjhen, R, Klein, M.G.
Deposit date:2017-02-10
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
3KC6
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BU of 3kc6 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
Descriptor: 1,2-ETHANEDIOL, Polymerase PB2
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-20
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010

 

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