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3S04
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BU of 3s04 by Molmil
Crystal structure of Escherichia coli type I signal peptidase in complex with an Arylomycin Lipoglycopeptide Antibiotic
Descriptor: 14-methylhexadec-9-enoic acid, Glyco-Arylomycin, Signal peptidase I, ...
Authors:Paetzel, M, Luo, C.
Deposit date:2011-05-13
Release date:2011-10-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Synthesis and characterization of the arylomycin lipoglycopeptide antibiotics and the crystallographic analysis of their complex with signal peptidase.
J.Am.Chem.Soc., 133, 2011
5MEI
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BU of 5mei by Molmil
Crystal structure of Agelastatin A bound to the 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O.
Deposit date:2016-11-15
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
5XAF
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BU of 5xaf by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound Z1 complex
Descriptor: (3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Zhang, H, Luo, C, Wang, Y.
Deposit date:2017-03-12
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
7KXT
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BU of 7kxt by Molmil
Crystal structure of human EED
Descriptor: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-12-04
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.
J.Med.Chem., 64, 2021
6CV0
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BU of 6cv0 by Molmil
Cryo-electron microscopy structure of infectious bronchitis coronavirus spike 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shang, J, Zheng, Y, Yang, Y, Liu, C, Geng, Q, Luo, C, Zhang, W, Li, F.
Deposit date:2018-03-27
Release date:2018-04-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Cryo-EM structure of infectious bronchitis coronavirus spike protein reveals structural and functional evolution of coronavirus spike proteins.
PLoS Pathog., 14, 2018
1IA8
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BU of 1ia8 by Molmil
THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
Descriptor: CHK1 CHECKPOINT KINASE, SULFATE ION
Authors:Chen, P, Luo, C, Deng, Y, Ryan, K, Register, J, Margosiak, S, Tempczyk-Russell, A, Nguyen, B, Myers, P, Lundgren, K, Chen Kan, C.-C, O'Connor, P.M.
Deposit date:2001-03-22
Release date:2001-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
4EMP
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BU of 4emp by Molmil
Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G.
Deposit date:2012-04-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
5H21
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BU of 5h21 by Molmil
Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4
Descriptor: 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2016-10-13
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
4GXO
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BU of 4gxo by Molmil
Crystal structure of Staphylococcus aureus protein SarZ mutant C13E
Descriptor: GLYCEROL, MarR family regulatory protein
Authors:Sun, F, Ding, Y, Ji, Q, Liang, Z, Deng, X, Wong, C.C, Yi, C, Zhang, L, Xie, S, Alvarez, S, Hicks, L.M, Luo, C, Jiang, H, Lan, L, He, C.
Deposit date:2012-09-04
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Protein cysteine phosphorylation of SarA/MgrA family transcriptional regulators mediates bacterial virulence and antibiotic resistance.
Proc.Natl.Acad.Sci.USA, 109, 2012
6AFR
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BU of 6afr by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol
Descriptor: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
8JN8
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BU of 8jn8 by Molmil
Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
Descriptor: (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Zhang, H.M, Luo, C.
Deposit date:2023-06-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:The crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
To Be Published
8JN9
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BU of 8jn9 by Molmil
Crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8
Descriptor: N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Zhang, H.M, Luo, C.
Deposit date:2023-06-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.724 Å)
Cite:The crystal structure of c-Src in complex with covalent inhibitor LW-Srci-8
To Be Published
5Z5T
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BU of 5z5t by Molmil
The first bromodomain of BRD4 with compound BDF-2141
Descriptor: 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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BU of 5z5v by Molmil
The first bromodomain of BRD4 with compound BDF-1253
Descriptor: Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5U
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BU of 5z5u by Molmil
The first bromodomain of BRD4 with compound BDF-2254
Descriptor: 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z4P
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BU of 5z4p by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound TCA complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole, CALCIUM ION, ...
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-12
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery and Design of novel Tubulin inhibitors
To Be Published
5XAG
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BU of 5xag by Molmil
Crystal structure of tubulin-stathmin-TTL-Compound Z2 complex
Descriptor: (3~{R},4~{R})-3-(hydroxymethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Zhang, H, Luo, C, Wang, Y.
Deposit date:2017-03-12
Release date:2018-01-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Design, synthesis, biological evaluation and cocrystal structures with tubulin of chiral beta-lactam bridged combretastatin A-4 analogues as potent antitumor agents
Eur J Med Chem, 144, 2017
7CPD
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BU of 7cpd by Molmil
Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex
Descriptor: (6R)-6-[(6-bromanyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Jiang, H, Luo, C.
Deposit date:2020-08-06
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex
To Be Published
7CPQ
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BU of 7cpq by Molmil
crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex
Descriptor: (6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Jiang, H, Luo, C.
Deposit date:2020-08-07
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex
To Be Published
7DPO
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BU of 7dpo by Molmil
Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound
Descriptor: 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2
Authors:Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B.
Deposit date:2020-12-21
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29994035 Å)
Cite:Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
To Be Published
7DPN
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BU of 7dpn by Molmil
Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound
Descriptor: 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2
Authors:Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B.
Deposit date:2020-12-20
Release date:2021-12-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79998839 Å)
Cite:Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency
To Be Published
2IOO
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BU of 2ioo by Molmil
Crystal structure of the mouse p53 core domain
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
2IOI
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BU of 2ioi by Molmil
Crystal structure of the mouse p53 core domain at 1.55 A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ZINC ION
Authors:Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
Acta Crystallogr.,Sect.D, 62, 2006
2IOM
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BU of 2iom by Molmil
Mouse p53 core domain soaked with 2-propanol
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular tumor antigen p53, ISOPROPYL ALCOHOL, ...
Authors:Ho, W.C, Luo, C, Zhao, K, Chai, X, Fitzgerald, M.X, Marmorstein, R.
Deposit date:2006-10-10
Release date:2006-12-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006

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