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6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
Descriptor: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
1T31
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BU of 1t31 by Molmil
A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S.
Deposit date:2004-04-23
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
4MBS
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BU of 4mbs by Molmil
Crystal Structure of the CCR5 Chemokine Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ...
Authors:Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B.
Deposit date:2013-08-19
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Science, 341, 2013
7MQY
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BU of 7mqy by Molmil
Zebrafish CNTN4 APLP2 complex
Descriptor: Fusion protein of CNTN4 and APLP2
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRQ
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BU of 7mrq by Molmil
Chicken CNTN4 FN1-FN3 domains with T751A, V752A, Y781A, E786A mutations
Descriptor: Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-08
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
4QQN
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BU of 4qqn by Molmil
Protein arginine methyltransferase 3 in complex with compound MTV044246
Descriptor: 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ...
Authors:Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3).
J. Med. Chem., 61, 2018
8HLL
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BU of 8hll by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 1)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Wei, H, Guo, M, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wei, H, Wang, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLM
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BU of 8hlm by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 2)
Descriptor: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
Authors:Guo, M, Wang, H, Wei, H, Chen, Y.
Deposit date:2022-11-30
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.522 Å)
Cite:Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8WW2
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BU of 8ww2 by Molmil
GPR3/Gs complex
Descriptor: CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Xiong, Y.
Deposit date:2023-10-24
Release date:2024-02-14
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
1RYG
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BU of 1ryg by Molmil
Three dimensional solution structure of the R29A MUTANT of sodium channels inhibitor HAINANTOXIN-IV by 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
7MRO
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BU of 7mro by Molmil
Zebrafish CNTN4 FN1-FN3 domains
Descriptor: Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRS
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BU of 7mrs by Molmil
Zebrafish CNTN4 APPb complex
Descriptor: Amyloid-beta A4 protein, Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-09
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRM
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BU of 7mrm by Molmil
Chicken CNTN3 APP complex
Descriptor: Fusion protein of Chicken CNTN3 FN1-FN2 domains and Amyloid-beta A4 protein,Amyloid-beta A4 protein, SULFATE ION
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRK
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BU of 7mrk by Molmil
Chicken CNTN4 APP complex
Descriptor: Amyloid-beta A4 protein, Contactin-4, DI(HYDROXYETHYL)ETHER
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRN
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BU of 7mrn by Molmil
Mouse CNTN5 APP complex
Descriptor: Contactin-5, N-APP
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
5HBZ
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BU of 5hbz by Molmil
Structure of EAV NSP11 K170A mutant at 3.10A
Descriptor: Non-structural protein 11
Authors:Zhang, M.F, Chen, Z.Z.
Deposit date:2016-01-04
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
5HC1
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BU of 5hc1 by Molmil
Structure of EAV NSP11 H141A mutant at 3.10A
Descriptor: Non-structural protein 11
Authors:Zhang, M.F, Chen, Z.Z.
Deposit date:2016-01-04
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Biology of the Arterivirus nsp11 Endoribonucleases.
J. Virol., 91, 2017
8HXQ
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BU of 8hxq by Molmil
Nanobody1 in complex with human BCMA ECD
Descriptor: Nanobody1, Tumor necrosis factor receptor superfamily member 17
Authors:Sun, Y, Zhang, B.
Deposit date:2023-01-05
Release date:2024-01-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity.
Signal Transduct Target Ther, 8, 2023
8HXR
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BU of 8hxr by Molmil
Nanobody2 in complex with human BCMA ECD
Descriptor: Nanobody2, Tumor necrosis factor receptor superfamily member 17
Authors:Sun, Y, Zhang, B.
Deposit date:2023-01-05
Release date:2024-01-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity.
Signal Transduct Target Ther, 8, 2023
1RYV
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BU of 1ryv by Molmil
Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
6AKO
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BU of 6ako by Molmil
Crystal Structure of FOXC2 DBD Bound to DBE2 DNA
Descriptor: DNA (5'-D(CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Forkhead box protein C2, ...
Authors:Chen, X, Wei, H, Li, J, Liang, X, Dai, S, Jiang, L, Guo, M, Chen, Y.
Deposit date:2018-09-03
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Structural basis for DNA recognition by FOXC2.
Nucleic Acids Res., 47, 2019
6LBM
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BU of 6lbm by Molmil
Crystal Structure of FOXC2-DBD bound to a palindromic DNA sequence
Descriptor: Forkhead box protein C2, IRE0, MAGNESIUM ION
Authors:Li, J, Dai, S.Y.
Deposit date:2019-11-14
Release date:2021-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LBI
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BU of 6lbi by Molmil
Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
Descriptor: Forkhead box protein O1, IRE0
Authors:Li, J, Dai, S.Y, Chen, Y.H.
Deposit date:2019-11-14
Release date:2021-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.067 Å)
Cite:Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
7Y9N
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BU of 7y9n by Molmil
an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P
Descriptor: SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2
Authors:Lu, G.W, Lin, X, Guo, L.Y, Lin, S.
Deposit date:2022-06-25
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry.
Emerg Microbes Infect, 11, 2022

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