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4L8Z
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BU of 4l8z by Molmil
Crystal structure of Human Hsp90 with RL1
Descriptor: Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
6XMV
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BU of 6xmv by Molmil
The crystal structure of Neisseria gonorrhoeae DolP (NGO1985)
Descriptor: CHLORIDE ION, Hemolysin,Endolysin
Authors:Li, J, Peterson Brown, L.E, Reed, R.W, Wierzbicki, I.H, Sikora, A.E, Korotkov, K.V.
Deposit date:2020-06-30
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The structure and function of a new component of Bam complex in Neisseria
To Be Published
4L91
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BU of 4l91 by Molmil
Crystal structure of Human Hsp90 with X29
Descriptor: 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4L94
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BU of 4l94 by Molmil
Crystal structure of Human Hsp90 with S46
Descriptor: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
8J0H
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BU of 8j0h by Molmil
Crystal structure of the fission yeast Rex1BD protein(C4H3.06)
Descriptor: Uncharacterized protein C4H3.06
Authors:Li, J, Sun, W, Chen, Y.
Deposit date:2023-04-11
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.383 Å)
Cite:Crystal structure of the fission yeast Rex1BD protein(C4H3.06)
To Be Published
4BBE
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BU of 4bbe by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
Descriptor: N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2
Authors:Li, J.
Deposit date:2012-09-21
Release date:2012-11-21
Last modified:2012-12-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
4BBF
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BU of 4bbf by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
Descriptor: (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2
Authors:Li, J.
Deposit date:2012-09-21
Release date:2012-11-21
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
7FCA
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BU of 7fca by Molmil
PfkB(Mycobacterium marinum)
Descriptor: Fructokinase, PfkB, GLYCEROL, ...
Authors:Li, J, Gao, B, Ji, R.
Deposit date:2021-07-14
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural analysis and functional study of phosphofructokinase B (PfkB) from Mycobacterium marinum.
Biochem.Biophys.Res.Commun., 579, 2021
8IU2
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BU of 8iu2 by Molmil
Cryo-EM structure of Long-wave-sensitive opsin 1
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Peng, Q, Cheng, X.Y, Li, J, Lu, Q.Y, Li, Y.Y, Zhang, J.
Deposit date:2023-03-23
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Cryo-EM structure of Long-wave-sensitive opsin 1
To Be Published
8C54
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BU of 8c54 by Molmil
Cryo-EM structure of NADH bound SLA dehydrogenase RlGabD from Rhizobium leguminosarum bv. trifolii SRD1565
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Succinate semialdehyde dehydrogenase
Authors:Sharma, M, Meek, R.W, Armstrong, Z, Blaza, J.N, Alhifthi, A, Li, J, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
Deposit date:2023-01-06
Release date:2023-09-20
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Molecular basis of sulfolactate synthesis by sulfolactaldehyde dehydrogenase from Rhizobium leguminosarum.
Chem Sci, 14, 2023
6VHH
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BU of 6vhh by Molmil
Human Teneurin-2 and human Latrophilin-3 binary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor L3, ...
Authors:Xie, Y, Li, J, Arac, D, Zhao, M.
Deposit date:2020-01-09
Release date:2020-06-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Alternative splicing controls teneurin-latrophilin interaction and synapse specificity by a shape-shifting mechanism.
Nat Commun, 11, 2020
7VTC
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BU of 7vtc by Molmil
Crystal structure of MERS main protease in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J.
Deposit date:2021-10-28
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53865623 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLP
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BU of 7vlp by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.50251937 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLO
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BU of 7vlo by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.0227 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLQ
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BU of 7vlq by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.939106 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VVP
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BU of 7vvp by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
Deposit date:2021-11-07
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
5HC4
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BU of 5hc4 by Molmil
Structure of esterase Est22
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Lipolytic enzyme
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
5HC0
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BU of 5hc0 by Molmil
Structure of esterase Est22 with p-nitrophenol
Descriptor: ACETIC ACID, GLYCEROL, Lipolytic enzyme, ...
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
5HC5
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BU of 5hc5 by Molmil
The structure of esterase Est22 mutant-S188A
Descriptor: Lipolytic enzyme
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
5HC2
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BU of 5hc2 by Molmil
Structure of esterase Est22 mutant-S188A with p-nitrophenol
Descriptor: IMIDAZOLE, Lipolytic enzyme, P-NITROPHENOL
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
5HC3
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BU of 5hc3 by Molmil
The structure of esterase Est22
Descriptor: GLYCEROL, Lipolytic enzyme
Authors:Li, J, Huang, J.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights of a hormone sensitive lipase homologue Est22.
Sci Rep, 6, 2016
2JOH
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BU of 2joh by Molmil
NMR structure of rabbit prion protein mutation S173N
Descriptor: Major prion protein
Authors:Li, J, Lin, D.
Deposit date:2007-03-13
Release date:2008-02-19
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Unique structural characteristics of the rabbit prion protein.
J.Biol.Chem., 285, 2010
4PY4
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BU of 4py4 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2
Descriptor: 2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide, Poly [ADP-ribose] polymerase 14
Authors:Li, J, Xu, Y.
Deposit date:2014-03-26
Release date:2015-04-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors
Tetrahedron, 70, 2017
3MP1
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BU of 3mp1 by Molmil
Complex structure of Sgf29 and trimethylated H3K4
Descriptor: ACETATE ION, H3K4me3 peptide, Maltose-binding periplasmic protein,LINKER,SAGA-associated factor 29, ...
Authors:Li, J, Ruan, J, Wu, M, Xue, X, Zang, J.
Deposit date:2010-04-24
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
3MP8
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BU of 3mp8 by Molmil
Crystal structure of Sgf29 tudor domain
Descriptor: 4-(HYDROXYMETHYL)BENZAMIDINE, ACETIC ACID, GLYCEROL, ...
Authors:Li, J, Wu, M, Ruan, J, Zang, J.
Deposit date:2010-04-26
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011

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