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2HVX
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BU of 2hvx by Molmil
Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design
Descriptor: Chymase, [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID
Authors:Greco, M.N, Hawkins, M.J, Powell, E.T, Almond, H.R, de Garavilla, L, Wang, Y, Minor, L.A, Wells, G.I, Di Cera, E, Cantwell, A.M, Savvides, S.N, Damiano, B.P, Maryanoff, B.E.
Deposit date:2006-07-31
Release date:2007-06-12
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase.
J.Med.Chem., 50, 2007
5Z10
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BU of 5z10 by Molmil
Structure of the mechanosensitive Piezo1 channel
Descriptor: Piezo-type mechanosensitive ion channel component 1
Authors:Zhao, Q, Zhou, H, Chi, S, Wang, Y, Wang, J, Geng, J, Wu, K, Liu, W, Zhang, T, Dong, M.-Q, Wang, J, Li, X, Xiao, B.
Deposit date:2017-12-22
Release date:2018-01-31
Last modified:2020-01-29
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structure and mechanogating mechanism of the Piezo1 channel.
Nature, 554, 2018
7MWS
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BU of 7mws by Molmil
Crystal structure of tamarin CD81 large extracellular loop
Descriptor: CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL
Authors:Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
Deposit date:2021-05-17
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
7YK6
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BU of 7yk6 by Molmil
Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
Descriptor: 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, 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:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
Deposit date:2022-07-21
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YJ4
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BU of 7yj4 by Molmil
Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi complex
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-2, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
Deposit date:2022-07-19
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YK7
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BU of 7yk7 by Molmil
Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
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-2, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W.
Deposit date:2022-07-21
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
2KFB
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BU of 2kfb by Molmil
The structure of the cataract causing P23T mutant of human gamma-D crystallin
Descriptor: Gamma-crystallin D
Authors:Jung, J, Byeon, I.L, Wang, Y, King, J, Gronenborn, A.M.
Deposit date:2009-02-12
Release date:2009-07-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The structure of the cataract-causing P23T mutant of human gammaD-crystallin exhibits distinctive local conformational and dynamic changes.
Biochemistry, 48, 2009
3QG9
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BU of 3qg9 by Molmil
crystal structure of FBF-2/gld-1 FBEa A7U mutant complex
Descriptor: 1,2-ETHANEDIOL, 5'-R(*UP*GP*UP*GP*CP*CP*UP*UP*A)-3', Fem-3 mRNA-binding factor 2
Authors:Koh, Y.Y, Wang, Y, Qiu, C, Opperman, L, Gross, L, Hall, T.M.T, Wickens, M.
Deposit date:2011-01-24
Release date:2011-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Stacking interactions in PUF-RNA complexes.
Rna, 17, 2011
4KO5
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BU of 4ko5 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48L/V95I/Y108F)
Descriptor: Azurin, COPPER (II) ION
Authors:Inampudi, K.K, Wang, Y, Meng, W, Tobin, P.H, Wilson, C.J.
Deposit date:2013-05-11
Release date:2014-05-14
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48L/V95I/Y108F)
To be Published
4L1A
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BU of 4l1a by Molmil
Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance
Descriptor: MDR769 HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
Authors:Liu, Z, Yedidi, R.S, Wang, Y, Dewdney, T, Reiter, S, Brunzelle, J, Kovari, I, Kovari, L.
Deposit date:2013-06-03
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance.
Biochem.Biophys.Res.Commun., 437, 2013
3PP8
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BU of 3pp8 by Molmil
2.1 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium
Descriptor: Glyoxylate/hydroxypyruvate reductase A
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Wang, Y, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-11-24
Release date:2010-12-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2.1 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium.
TO BE PUBLISHED
7W3X
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BU of 7w3x by Molmil
Cryo-EM structure of plant receptor like protein RXEG1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-localized LRR receptor-like protein, ...
Authors:Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
Deposit date:2021-11-26
Release date:2022-06-22
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7W3V
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BU of 7w3v by Molmil
Plant receptor like protein RXEG1 in complex with xyloglucanase XEG1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell 12A endoglucanase, ...
Authors:Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
Deposit date:2021-11-26
Release date:2022-06-22
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7W3T
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BU of 7w3t by Molmil
Cryo-EM structure of plant receptor like kinase NbBAK1 in RXEG1-BAK1-XEG1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinosteroid insensitive 1-associated receptor kinase 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
Deposit date:2021-11-26
Release date:2022-06-22
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
3PR2
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BU of 3pr2 by Molmil
Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site
Descriptor: (Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Lai, J, Niks, D, Wang, Y, Domratcheva, T, Barends, T.R.M, Schwarz, F, Olsen, R.A, Elliott, D.W, Fatmi, M.Q, Chang, C.A, Schlichting, I, Dunn, M.F, Mueller, L.J.
Deposit date:2010-11-29
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray and NMR Crystallography in an Enzyme Active Site: The Indoline Quinonoid Intermediate in Tryptophan Synthase.
J.Am.Chem.Soc., 133, 2011
4KVP
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BU of 4kvp by Molmil
Human p53 Core Domain Mutant V157F
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Wallentine, B.D, Wang, Y, Luecke, H.
Deposit date:2013-05-22
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue.
Acta Crystallogr.,Sect.D, 69, 2013
6JXR
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BU of 6jxr by Molmil
Structure of human T cell receptor-CD3 complex
Descriptor: T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, T-cell surface glycoprotein CD3 delta chain, ...
Authors:Dong, D, Zheng, L, Lin, J, Zhu, Y, Li, N, Zhang, B, Xie, S, Zheng, J, Wang, Y, Gao, N, Huang, Z.
Deposit date:2019-04-24
Release date:2019-09-11
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of assembly of the human T cell receptor-CD3 complex.
Nature, 573, 2019
4LO9
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BU of 4lo9 by Molmil
Human p53 Core Domain Mutant N235K
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Wallentine, B.D, Wang, Y, Luecke, H.
Deposit date:2013-07-12
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue.
Acta Crystallogr.,Sect.D, 69, 2013
6K3Z
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BU of 6k3z by Molmil
Crystal structure of dCas9 in complex with sgRNA and DNA (TGA PAM)
Descriptor: CRISPR-associated endonuclease Cas9, DNA (28-MER), DNA (5'-D(*AP*AP*AP*TP*GP*AP*TP*AP*TP*TP*G)-3'), ...
Authors:Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
Deposit date:2019-05-22
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
6K4P
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BU of 6k4p by Molmil
Crystal structure of xCas9 in complex with sgRNA and DNA (TGG PAM)
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), PHOSPHATE ION, ...
Authors:Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
Deposit date:2019-05-25
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
4LOF
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BU of 4lof by Molmil
Human p53 Core Domain Mutant V157F/N235K/N239Y
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Wallentine, B.D, Wang, Y, Luecke, H.
Deposit date:2013-07-12
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue.
Acta Crystallogr.,Sect.D, 69, 2013
6K4U
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BU of 6k4u by Molmil
Crystal structure of xCas9 in complex with sgRNA and DNA (TGA PAM)
Descriptor: CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ...
Authors:Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
Deposit date:2019-05-27
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019
4LOE
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BU of 4loe by Molmil
Human p53 Core Domain Mutant N239Y
Descriptor: Cellular tumor antigen p53, ZINC ION
Authors:Wallentine, B.D, Wang, Y, Luecke, H.
Deposit date:2013-07-12
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue.
Acta Crystallogr.,Sect.D, 69, 2013
6CJ7
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BU of 6cj7 by Molmil
Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12
Descriptor: Serpin-12
Authors:Gulati, M, Hu, Y, Peng, S, Pathak, P.K, Wang, Y, Deng, J, Jiang, H.
Deposit date:2018-02-26
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Manduca sexta serpin-12 controls the prophenoloxidase activation system in larval hemolymph.
Insect Biochem. Mol. Biol., 99, 2018
6K4S
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BU of 6k4s by Molmil
Crystal structure of xCas9 in complex with sgRNA and DNA (TGC PAM)
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, non-targeted DNA, sgRNA, ...
Authors:Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q.
Deposit date:2019-05-26
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease.
Plos Biol., 17, 2019

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