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7PXS
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BU of 7pxs by Molmil
Room temperature X-ray structure of LPMO at 1.91x10^3 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYY
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BU of 7pyy by Molmil
Structure of LPMO (expressed in E.coli) with cellotriose at 5.05x10^5 Gy
Descriptor: Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYP
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BU of 7pyp by Molmil
Structure of an LPMO (expressed in E.coli) at 2.13x10^6 Gy
Descriptor: ACETATE ION, Auxiliary activity 9, COPPER (II) ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYN
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BU of 7pyn by Molmil
Structure of an LPMO (expressed in E.coli) at 2.31x10^5 Gy
Descriptor: Auxiliary activity 9, COPPER (II) ION, SULFATE ION
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYX
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BU of 7pyx by Molmil
Structure of LPMO (expressed in E.coli) with cellotriose at 2.74x10^5 Gy
Descriptor: Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PXU
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BU of 7pxu by Molmil
LsAA9_A chemically reduced with ascorbic acid (low X-ray dose)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYL
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BU of 7pyl by Molmil
Structure of an LPMO (expressed in E.coli) at 1.49x10^4 Gy
Descriptor: ACETATE ION, Auxiliary activity 9, COPPER (II) ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYM
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BU of 7pym by Molmil
Structure of an LPMO (expressed in E.coli) at 5.61x10^4 Gy
Descriptor: Auxiliary activity 9, COPPER (II) ION, SULFATE ION
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYO
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BU of 7pyo by Molmil
Structure of an LPMO (expressed in E.coli) at 2.31x10^5 Gy
Descriptor: ACETATE ION, Auxiliary activity 9, COPPER (II) ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-10
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYU
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BU of 7pyu by Molmil
Structure of an LPMO (expressed in E.coli) at 1.49x10^4 Gy
Descriptor: ACETATE ION, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-11
Release date:2022-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
6BRY
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BU of 6bry by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a
Descriptor: 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
7LZ7
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BU of 7lz7 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5k
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7LZ8
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BU of 7lz8 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5t
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6K0J
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BU of 6k0j by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor
Descriptor: 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Tiantian, W, Xiao, J.
Deposit date:2019-05-06
Release date:2019-11-20
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:Inhibition of dual-specificity tyrosine phosphorylation-regulated kinase 2 perturbs 26S proteasome-addicted neoplastic progression.
Proc.Natl.Acad.Sci.USA, 116, 2019
6X1C
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BU of 6x1c by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5j
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1F
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BU of 6x1f by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5m
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1E
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BU of 6x1e by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5l
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
4NYR
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BU of 4nyr by Molmil
In-vivo crystallisation (midguts of a viviparous cockroach) and structure at 2.5 A resolution of a glycosylated, lipid-binding, lipocalin-like protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Coussens, N.P, Gallat, F.-X, Ramaswamy, S, Yagi, K, Tobe, S.S, Stay, B, Chavas, L.M.G.
Deposit date:2013-12-11
Release date:2014-01-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of a heterogeneous, glycosylated, lipid-bound, in vivo-grown protein crystal at atomic resolution from the viviparous cockroach Diploptera punctata.
Iucrj, 3, 2016
4NYQ
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BU of 4nyq by Molmil
In-vivo crystallisation (midguts of a viviparous cockroach) and structure at 1.2 A resolution of a glycosylated, lipid-binding, lipocalin-like protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Coussens, N.P, Gallat, F.-X, Ramaswamy, S, Yagi, K, Tobe, S.S, Stay, B, Chavas, L.M.G.
Deposit date:2013-12-11
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of a heterogeneous, glycosylated, lipid-bound, in vivo-grown protein crystal at atomic resolution from the viviparous cockroach Diploptera punctata.
Iucrj, 3, 2016
6BR1
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BU of 6br1 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-11-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BS2
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BU of 6bs2 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b
Descriptor: 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRF
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BU of 6brf by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-11-30
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6DHK
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BU of 6dhk by Molmil
Bovine glutamate dehydrogenase complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation.
Biochemistry, 42, 2003
5ZTN
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BU of 5ztn by Molmil
The crystal structure of human DYRK2 in complex with Curcumin
Descriptor: (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Ji, C.G, Xiao, J.Y.
Deposit date:2018-05-04
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Ancient drug curcumin impedes 26S proteasome activity by direct inhibition of dual-specificity tyrosine-regulated kinase 2.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6P0Y
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BU of 6p0y by Molmil
Cryptosporidium parvum pyruvate kinase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Schormann, N, Chattopadhyay, D.
Deposit date:2019-05-17
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An overview of structure, function, and regulation of pyruvate kinases.
Protein Sci., 28, 2019

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數據於2024-06-26公開中

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