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3PPV
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BU of 3ppv by Molmil
Crystal structure of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: CALCIUM ION, SULFATE ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3PPX
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BU of 3ppx by Molmil
Crystal structure of the N1602A mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3PPY
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BU of 3ppy by Molmil
Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3PPW
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BU of 3ppw by Molmil
Crystal structure of the D1596A mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
Descriptor: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
Descriptor: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5I2N
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BU of 5i2n by Molmil
Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLUTAMIC ACID, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-02-09
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
5I2K
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BU of 5i2k by Molmil
Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19)
Descriptor: 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-02-09
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
8JGF
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BU of 8jgf by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: BAM8-22, 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, ...
Authors:Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: BAM8-22, 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, ...
Authors:Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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BU of 8jgb by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
Descriptor: Conorfamide-Tx2, 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, ...
Authors:Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
7K36
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BU of 7k36 by Molmil
Cryo-EM structure of STRIPAK complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, MANGANESE (II) ION, MOB-like protein phocein, ...
Authors:Jeong, B.-C, Bai, X.C.
Deposit date:2020-09-10
Release date:2021-03-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the Hippo signaling integrator human STRIPAK.
Nat.Struct.Mol.Biol., 28, 2021
7BTP
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BU of 7btp by Molmil
EcoR124I-Ocr in Restriction-Alleviation State
Descriptor: Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-04-02
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.01 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BST
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BU of 7bst by Molmil
EcoR124I-Ocr in the Intermediate State
Descriptor: Overcome classical restriction gp0.3, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-03-31
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.37 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BTR
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BU of 7btr by Molmil
EcoR124I-ArdA in the Restriction-Alleviation State
Descriptor: Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-04-02
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.54 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BTQ
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BU of 7btq by Molmil
EcoR124I-DNA in the Restriction-Alleviation State
Descriptor: DNA (64-MER), Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-04-02
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.54 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7BTO
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BU of 7bto by Molmil
EcoR124I-ArdA in the Translocation State
Descriptor: Antirestriction protein ArdA, Type I restriction enzyme EcoR124II M protein, Type I restriction enzyme R Protein, ...
Authors:Gao, Y, Gao, P.
Deposit date:2020-04-02
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural insights into assembly, operation and inhibition of a type I restriction-modification system.
Nat Microbiol, 5, 2020
7Y4F
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BU of 7y4f by Molmil
bacterial DPP4
Descriptor: Dipeptidyl peptidase IV
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-06-14
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
7Y4G
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BU of 7y4g by Molmil
sit-bound btDPP4
Descriptor: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-06-14
Release date:2023-06-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
5VZU
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BU of 5vzu by Molmil
Crystal structure of the Skp1-FBXO31-cyclin D1 complex
Descriptor: Cyclin D1, F-box only protein 31, PHOSPHATE ION, ...
Authors:Li, Y, Jin, K, Hao, B.
Deposit date:2017-05-29
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCFFBXO31 ubiquitin ligase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5VZT
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BU of 5vzt by Molmil
Crystal structure of the Skp1-FBXO31 complex
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, F-box only protein 31, PHOSPHATE ION, ...
Authors:Li, Y, Jin, K, Hao, B.
Deposit date:2017-05-29
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCFFBXO31 ubiquitin ligase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1Z1D
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BU of 1z1d by Molmil
Structural Model for the interaction between RPA32 C-terminal domain and SV40 T antigen origin binding domain.
Descriptor: Large T antigen, Replication protein A 32 kDa subunit
Authors:Arunkumar, A.I, Klimovich, V, Jiang, X, Ott, R.D, Mizoue, L, Fanning, E, Chazin, W.J.
Deposit date:2005-03-03
Release date:2005-05-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Insights into hRPA32 C-terminal domain--mediated assembly of the simian virus 40 replisome.
Nat.Struct.Mol.Biol., 12, 2005
7R9L
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BU of 7r9l by Molmil
Crystal structure of HPK1 in complex with compound 2
Descriptor: 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9P
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BU of 7r9p by Molmil
Crystal structure of HPK1 in complex with compound 14
Descriptor: 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9T
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BU of 7r9t by Molmil
Crystal structure of HPK1 in complex with compound 17
Descriptor: 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022

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PDB entries from 2024-08-07

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