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7R5R
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BU of 7r5r by Molmil
Structure of the human CCAN CENP-A alpha-satellite complex
Descriptor: Centromere protein C, DNA (171-MER), Histone H2A type 1-C, ...
Authors:Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D.
Deposit date:2022-02-11
Release date:2022-04-27
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
4OCZ
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BU of 4ocz by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
Descriptor: 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
Authors:Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
Deposit date:2014-01-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
4OD0
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BU of 4od0 by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
Descriptor: 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
Authors:Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
Deposit date:2014-01-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
8GQW
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BU of 8gqw by Molmil
The Crystal Structures of a Swine SLA-2*HB01 Molecules Complexed with a CTL epitope from Asia1 serotype of Foot-and-mouth disease virus
Descriptor: Hu64, MHC class I antigen, beta 2 microglobulin
Authors:Feng, L, Gao, Y.Y, Sun, M.W, Li, Z.B, Zhang, Q, Yang, J, Qiao, C, Jin, H, Feng, H.S, Xian, Y.H, Qi, J.X, Gao, G.F, Liu, W.J, Gao, F.S.
Deposit date:2022-08-31
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The Parallel Presentation of Two Functional CTL Epitopes Derived from the O and Asia 1 Serotypes of Foot-and-Mouth Disease Virus and Swine SLA-2*HB01: Implications for Universal Vaccine Development.
Cells, 11, 2022
8GQV
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BU of 8gqv by Molmil
The Crystal Structures of a Swine SLA-2*HB01 Molecules Complexed with a CTL epitope from Asia1 serotype of Foot-and-mouth disease virus
Descriptor: As64, MHC class I antigen, beta 2 microglobulin
Authors:Feng, L, Gao, Y.Y, Sun, M.W, Li, Z.B, Zhang, Q, Yang, J, Qiao, C, Jin, H, Feng, H.S, Xian, Y.H, Qi, J.X, Gao, G.F, Liu, W.J, Gao, F.S.
Deposit date:2022-08-31
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Parallel Presentation of Two Functional CTL Epitopes Derived from the O and Asia 1 Serotypes of Foot-and-Mouth Disease Virus and Swine SLA-2*HB01: Implications for Universal Vaccine Development.
Cells, 11, 2022
5YKJ
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BU of 5ykj by Molmil
Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
Descriptor: GLYCEROL, Peroxiredoxin PRX1, mitochondrial, ...
Authors:Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R.
Deposit date:2017-10-14
Release date:2018-10-24
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
To be published
5YKW
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BU of 5ykw by Molmil
Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
Descriptor: Thioredoxin-3, mitochondrial, peptide THR-PRO-VAL-CYS-THR-THR-GLU-VAL
Authors:Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
to be published
5EZY
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BU of 5ezy by Molmil
Crystal structure of T2R-TTL-taccalonolide AJ complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2015-11-27
Release date:2017-01-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanism of microtubule stabilization by taccalonolide AJ
Nat Commun, 8, 2017
5G05
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BU of 5g05 by Molmil
Cryo-EM structure of combined apo phosphorylated APC
Descriptor: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
Authors:Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
Deposit date:2016-03-16
Release date:2016-05-25
Last modified:2019-09-11
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
5G04
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BU of 5g04 by Molmil
Structure of the human APC-Cdc20-Hsl1 complex
Descriptor: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
Authors:Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
Deposit date:2016-03-16
Release date:2016-05-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
5H3O
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BU of 5h3o by Molmil
Structure of a eukaryotic cyclic nucleotide-gated channel
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel, SODIUM ION
Authors:Li, M, Zhou, X, Wang, S, Michailidis, I, Gong, Y, Su, D, Li, H, Li, X, Yang, J.
Deposit date:2016-10-26
Release date:2017-01-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of a eukaryotic cyclic-nucleotide-gated channel.
Nature, 542, 2017
5GJJ
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BU of 5gjj by Molmil
Glutathionylated hHsp70 SBD
Descriptor: Heat shock 70 kDa protein 1A
Authors:Gong, W.B, Yang, J, Zhang, H, Perrett, S.
Deposit date:2016-06-30
Release date:2017-07-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of glutathionylated hHsp70 SBD (385-641)
To Be Published
5Z1V
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BU of 5z1v by Molmil
Crystal structure of AvrPib
Descriptor: AvrPib protein
Authors:Zhang, X, He, D, Zhao, Y.X, Taylor, I.A, Peng, Y.L, Yang, J, Liu, J.F.
Deposit date:2017-12-28
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.661 Å)
Cite:A positive-charged patch and stabilized hydrophobic core are essential for avirulence function of AvrPib in the rice blast fungus.
Plant J., 96, 2018
5H74
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BU of 5h74 by Molmil
Crystal structure of T2R-TTL-14b complex
Descriptor: (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Yu, Y, Chen, Q, Yang, J.
Deposit date:2016-11-17
Release date:2017-11-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Activity Relationship Studies of Tubulysin Analogues: Anticancer N-Alkyltubulysins with Subpicomolar Activity and the Crystal Structure Binding to Tubulin
To Be Published
5H7O
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BU of 5h7o by Molmil
Crystal structure of DJ-101 in complex with tubulin protein
Descriptor: 2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Arnst, K, Wang, Y, Hwang, D.-J, Xue, Y, Costello, T, Hamilton, D, Chen, Q, Yang, J, Park, F, Dalton, J.T, Miller, D.D, Li, W.
Deposit date:2016-11-20
Release date:2017-12-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A Potent, Metabolically Stable Tubulin Inhibitor Targets the Colchicine Binding Site and Overcomes Taxane Resistance.
Cancer Res., 78, 2018
6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
Descriptor: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
7D77
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BU of 7d77 by Molmil
Cryo-EM structure of the cortisol-bound adhesion receptor GPR97-Go complex
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ...
Authors:Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J.
Deposit date:2020-10-03
Release date:2021-02-03
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex.
Nature, 589, 2021
7D76
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BU of 7d76 by Molmil
Cryo-EM structure of the beclomethasone-bound adhesion receptor GPR97-Go complex
Descriptor: (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, Adhesion G protein-coupled receptor G3; GPR97, CHOLESTEROL, ...
Authors:Ping, Y, Mao, C, Xiao, P, Zhao, R, Jiang, Y, Yang, Z, An, W, Shen, D, Yang, F, Zhang, H, Qu, C, Shen, Q, Tian, C, Li, Z, Li, S, Wang, G, Tao, X, Wen, X, Zhong, Y, Yang, J, Yi, F, Yu, X, Xu, E, Zhang, Y, Sun, J.
Deposit date:2020-10-03
Release date:2021-02-03
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of the glucocorticoid-bound adhesion receptor GPR97-G o complex.
Nature, 589, 2021
4GIF
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BU of 4gif by Molmil
C-terminal coiled-coil domain of transient receptor potential channel TRPP3 (PKD2L1, Polycystin-L)
Descriptor: Polycystic kidney disease 2-like 1 protein
Authors:Yu, Y, Ulbrich, M.H, Li, M.-H, Dobbins, S, Zhang, W.K, Tong, L, Isacoff, E.Y, Yang, J.
Deposit date:2012-08-08
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular mechanism of the assembly of an acid-sensing receptor ion channel complex.
Nat Commun, 3, 2012
6JCJ
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BU of 6jcj by Molmil
Structure of crolibulin in complex with tubulin
Descriptor: (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Z, Yang, J.
Deposit date:2019-01-29
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of crolibulin in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 511, 2019
4JNE
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BU of 4jne by Molmil
Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Hsp70 CHAPERONE DnaK, ...
Authors:Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q.
Deposit date:2013-03-15
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
4JNF
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BU of 4jnf by Molmil
Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP
Descriptor: Hsp70 CHAPERONE DnaK
Authors:Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q.
Deposit date:2013-03-15
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
4JN4
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BU of 4jn4 by Molmil
Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ...
Authors:Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q.
Deposit date:2013-03-14
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
6N9N
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BU of 6n9n by Molmil
Crystal structure of murine GSDMD
Descriptor: Gasdermin-D
Authors:Liu, Z, Wang, C, Yang, J, Xiao, T.S.
Deposit date:2018-12-03
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization.
Immunity, 51, 2019
6N9O
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BU of 6n9o by Molmil
Crystal structure of human GSDMD
Descriptor: Gasdermin-D
Authors:Liu, Z, Wang, C, Yang, J, Xiao, T.S.
Deposit date:2018-12-03
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal Structures of the Full-Length Murine and Human Gasdermin D Reveal Mechanisms of Autoinhibition, Lipid Binding, and Oligomerization.
Immunity, 51, 2019

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