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8X91
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BU of 8x91 by Molmil
P/Q type calcium channel in complex with omega-conotoxin MVIIC
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T.
Deposit date:2023-11-29
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels.
Cell Res., 2024
4AZO
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BU of 4azo by Molmil
Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag removed
Descriptor: CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4AZN
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BU of 4azn by Molmil
Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag-mediated crystal packing
Descriptor: FATTY ACID-BINDING PROTEIN, EPIDERMAL
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4AZP
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BU of 4azp by Molmil
Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide
Descriptor: CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ...
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4AZQ
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BU of 4azq by Molmil
Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid 2-arachidonoylglycerol
Descriptor: 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate, CHLORIDE ION, FATTY ACID-BINDING PROTEIN, ...
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4AZM
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BU of 4azm by Molmil
Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413
Descriptor: ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ...
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
4AZR
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BU of 4azr by Molmil
Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide
Descriptor: CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ...
Authors:Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H.
Deposit date:2012-06-26
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
5GS4
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BU of 5gs4 by Molmil
Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist
Descriptor: ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ...
Authors:Xie, M, Wang, T, Li, Z.-G.
Deposit date:2016-08-13
Release date:2017-08-30
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
5GTR
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BU of 5gtr by Molmil
estrogen receptor alpha in complex with a stabilized peptide antagonist 6
Descriptor: ARG-IAS-ILE-0JY-DPP-ARG-0JY-0JY-GLN-NH2, ESTRADIOL, Estrogen receptor
Authors:Xie, M, Wang, T, Li, Z.-G.
Deposit date:2016-08-23
Release date:2017-08-30
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
6DCG
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BU of 6dcg by Molmil
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
Descriptor: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
7MEY
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BU of 7mey by Molmil
Structure of yeast Ubr1 in complex with Ubc2 and monoubiquitinated N-degron
Descriptor: 2-(ethylamino)ethane-1-thiol, E3 ubiquitin-protein ligase UBR1, Monoubiquitinated N-degron, ...
Authors:Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M.
Deposit date:2021-04-08
Release date:2021-11-24
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural insights into Ubr1-mediated N-degron polyubiquitination.
Nature, 600, 2021
7MEX
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BU of 7mex by Molmil
Structure of yeast Ubr1 in complex with Ubc2 and N-degron
Descriptor: E3 ubiquitin-protein ligase UBR1, N-degron, Ubiquitin, ...
Authors:Pan, M, Zheng, Q, Wang, T, Liang, L, Yu, Y, Liu, L, Zhao, M.
Deposit date:2021-04-08
Release date:2021-11-24
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural insights into Ubr1-mediated N-degron polyubiquitination.
Nature, 600, 2021
6OE8
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BU of 6oe8 by Molmil
The crystal structure of hyper-thermostable AgUricase mutant K12C/E286C
Descriptor: MALONATE ION, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Shi, Y, Wang, T, Zhou, X.E, Liu, Q, Jiang, Y, Xu, H.E.
Deposit date:2019-03-27
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-based design of a hyperthermostable AgUricase for hyperuricemia and gout therapy.
Acta Pharmacol.Sin., 40, 2019
4QYY
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BU of 4qyy by Molmil
Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
Descriptor: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
Deposit date:2014-07-26
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
4RS6
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BU of 4rs6 by Molmil
Crystal structure of the C domain of Polo like Kinase II in Homo Sapiens
Descriptor: Serine/threonine-protein kinase PLK2
Authors:Shan, H, Quan, J, Wang, T.
Deposit date:2014-11-07
Release date:2014-12-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the polo-box domain of polo-like kinase 2
Biochem.Biophys.Res.Commun., 456, 2015
7BTF
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BU of 7btf by Molmil
SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
Authors:Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
Deposit date:2020-04-01
Release date:2020-04-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
4KNB
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BU of 4knb by Molmil
C-Met in complex with OSI ligand
Descriptor: 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
Authors:Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J.
Deposit date:2013-05-09
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
4DHI
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BU of 4dhi by Molmil
Structure of C. elegans OTUB1 bound to human UBC13
Descriptor: Ubiquitin thioesterase otubain-like, Ubiquitin-conjugating enzyme E2 N
Authors:Wiener, R, Zhang, X, Wang, T, Wolberger, C.
Deposit date:2012-01-27
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The mechanism of OTUB1-mediated inhibition of ubiquitination.
Nature, 483, 2012
4DHJ
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BU of 4dhj by Molmil
The structure of a ceOTUB1 ubiquitin aldehyde UBC13~Ub complex
Descriptor: Ubiquitin, Ubiquitin aldehyde, Ubiquitin thioesterase otubain-like, ...
Authors:Wiener, R, Zhang, X, Wang, T, Wolberger, C.
Deposit date:2012-01-27
Release date:2012-02-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The mechanism of OTUB1-mediated inhibition of ubiquitination.
Nature, 483, 2012
4DHZ
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BU of 4dhz by Molmil
The structure of h/ceOTUB1-ubiquitin aldehyde-UBC13~Ub
Descriptor: Ubiquitin, Ubiquitin aldehyde, Ubiquitin thioesterase otubain-like, ...
Authors:Wiener, R, Zhang, X, Wang, T, Wolberger, C.
Deposit date:2012-01-30
Release date:2012-02-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:The mechanism of OTUB1-mediated inhibition of ubiquitination.
Nature, 483, 2012
4XX5
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BU of 4xx5 by Molmil
Structure of PI3K gamma in complex with an inhibitor
Descriptor: N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M.
Deposit date:2015-01-29
Release date:2015-08-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure of PI3K gamma in complex with an inhibitor
To Be Published
4XZ4
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BU of 4xz4 by Molmil
Structure of PI3K gamma in complex with an inhibitor
Descriptor: N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M.
Deposit date:2015-02-03
Release date:2016-02-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of PI3K gamma in complex with an inhibitor
To Be Published
4ZBW
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BU of 4zbw by Molmil
Crystal structure of death effector domain of Caspase8 in Homo Sapiens
Descriptor: Caspase-8
Authors:Shen, C, Wang, T, Quan, J.
Deposit date:2015-04-15
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the death effector domains of caspase-8
Biochem.Biophys.Res.Commun., 463, 2015
6M71
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BU of 6m71 by Molmil
SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase
Authors:Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
Deposit date:2020-03-16
Release date:2020-04-01
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
2VLC
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BU of 2vlc by Molmil
Crystal structure of Natural Cinnamomin (Isoform III)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein, beta-D-mannopyranose, ...
Authors:Azzi, A, Wang, T, Zhu, D.-W, Zou, Y.-S, Liu, W.-Y, Lin, S.-X.
Deposit date:2008-01-11
Release date:2009-02-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structure of Native Cinnamomin Isoform III and its Comparison with Other Ribosome Inactivating Proteins.
Proteins: Struct., Funct., Bioinf., 74, 2009

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