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4HXX
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BU of 4hxx by Molmil
Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
Descriptor: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ...
Authors:Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
3RJR
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BU of 3rjr by Molmil
Crystal Structure of pro-TGF beta 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1
Authors:Zhu, J.H, Shi, M.L, Springer, T.A.
Deposit date:2011-04-15
Release date:2011-06-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Latent TGF-Beta structure and activation
Nature, 474, 2011
4LAL
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BU of 4lal by Molmil
Crystal structure of Cordyceps militaris IDCase D323A mutant in complex with 5-carboxyl-uracil
Descriptor: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4LAM
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BU of 4lam by Molmil
Crystal structure of Cordyceps militaris IDCase D323N mutant in complex with 5-carboxyl-uracil
Descriptor: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, HEXAETHYLENE GLYCOL, Uracil-5-carboxylate decarboxylase, ...
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4LAN
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BU of 4lan by Molmil
Crystal structure of Cordyceps militaris IDCase H195A mutant
Descriptor: Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
4LAO
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BU of 4lao by Molmil
Crystal structure of Cordyceps militaris IDCase H195A mutant (Zn)
Descriptor: Cordyceps militaris IDCase, DI(HYDROXYETHYL)ETHER, ZINC ION
Authors:Xu, S, Li, W, Zhu, J, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
5X74
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BU of 5x74 by Molmil
The crystal Structure PDE delta in complex with compound (R, R)-1g
Descriptor: (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5KCX
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BU of 5kcx by Molmil
Pim-1 kinase in Complex with a Selective N-substituted 7-azaindole Inhibitor
Descriptor: 4-chloranyl-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ...
Authors:Mechin, I, McLean, L.R, Zhang, Y, Wang, R.
Deposit date:2016-06-07
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
5X73
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BU of 5x73 by Molmil
The crystal Structure PDE delta in complex with R-p9
Descriptor: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5X72
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BU of 5x72 by Molmil
The crystal Structure PDE delta in complex with (rac)-p9
Descriptor: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Authors:Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
Deposit date:2017-02-23
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5TDK
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BU of 5tdk by Molmil
RNA decamer duplex with eight 2'-5'-linkages
Descriptor: RNA (5'-R(*CP*CP*GP*GP*CP*GP*CP*CP*GP*G)-3'), STRONTIUM ION
Authors:Luo, Z, Sheng, J.
Deposit date:2016-09-19
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural insights into RNA duplexes with multiple 2 -5 -linkages.
Nucleic Acids Res., 45, 2017
5THO
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BU of 5tho by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205
Descriptor: N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.C, Li, H.
Deposit date:2016-09-30
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
5TKO
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BU of 5tko by Molmil
RNA heptamer duplex with one 2'-5'-linkage
Descriptor: COBALT (II) ION, RNA (5'-R(*GP*GP*AP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3')
Authors:Luo, Z, Sheng, J.
Deposit date:2016-10-07
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:RNA heptamer duplex with one 2'-5'-linkage
To Be Published
5TDJ
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BU of 5tdj by Molmil
RNA decamer duplex with four 2'-5'-linkages
Descriptor: RNA (5'-R(*CP*CP*GP*GP*CP*GP*CP*CP*GP*G)-3'), STRONTIUM ION
Authors:Luo, Z, Sheng, J.
Deposit date:2016-09-19
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into RNA duplexes with multiple 2 -5 -linkages.
Nucleic Acids Res., 45, 2017
5U0Q
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BU of 5u0q by Molmil
RNA-DNA heptamer duplex with one 2'-5'-linkage
Descriptor: COBALT (II) ION, DNA/RNA (5'-R(*GP*GP*AP*GP*C)-D(P*T)-R(P*A)-3'), MAGNESIUM ION, ...
Authors:Luo, Z, Sheng, J.
Deposit date:2016-11-26
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:RNA-DNA heptamer duplex with one 2'-5'-linkage
To Be Published
6JIU
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BU of 6jiu by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/Ca2+CaM dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-23
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JI8
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BU of 6ji8 by Molmil
Structure of RyR2 (F/apoCaM dataset)
Descriptor: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-20
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JII
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BU of 6jii by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/apo-CaM-M dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-21
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRR
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BU of 6jrr by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+ dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-04-05
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JI0
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BU of 6ji0 by Molmil
Structure of RyR2 (F/A/C/Ca2+ dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-19
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JIY
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BU of 6jiy by Molmil
Structure of RyR2 (F/A/C/H-Ca2+/Ca2+CaM dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-24
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JRS
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BU of 6jrs by Molmil
Structure of RyR2 (*F/A/C/L-Ca2+/Ca2+-CaM dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-04-05
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6JV2
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BU of 6jv2 by Molmil
Structure of RyR2 (P/L-Ca2+/Ca2+-CaM dataset)
Descriptor: CALCIUM ION, Calmodulin-1, RyR2, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-04-15
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
6KNW
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BU of 6knw by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
6KNV
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BU of 6knv by Molmil
THRb mutation with a novel agonist
Descriptor: 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B.Q, Li, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019

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数据于2024-05-29公开中

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