4HMA
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![BU of 4hma by Molmil](/molmil-images/mine/4hma) | Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain | Descriptor: | CALCIUM ION, D-MALATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stura, E.A, Antoni, C, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | Deposit date: | 2012-10-18 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystallization of bi-functional ligand protein complexes. J.Struct.Biol., 182, 2013
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3RDP
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![BU of 3rdp by Molmil](/molmil-images/mine/3rdp) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with N-METHYL-FHBT | Descriptor: | 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L. | Deposit date: | 2011-04-01 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 2011
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6OOG
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![BU of 6oog by Molmil](/molmil-images/mine/6oog) | |
8Q9P
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![BU of 8q9p by Molmil](/molmil-images/mine/8q9p) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif | Descriptor: | HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-08-20 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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8Q9R
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![BU of 8q9r by Molmil](/molmil-images/mine/8q9r) | Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif | Descriptor: | Histone deacetylase 9 (HDAC9) binding motif peptide: EVKQKLQEFLLSKS, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGT, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-08-20 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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5F3H
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![BU of 5f3h by Molmil](/molmil-images/mine/5f3h) | Structure of myostatin in complex with humanized RK35 antibody | Descriptor: | Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain | Authors: | Parris, K.D, Mosyak, L. | Deposit date: | 2015-12-02 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody. Mabs, 8, 2016
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8Q9Q
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![BU of 8q9q by Molmil](/molmil-images/mine/8q9q) | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC7 deacetylase binding motif | Descriptor: | HDAC7 (histone deacetylase 7) binding motif peptide: GLY-VAL-VAL-LYS-GLN-LYS-LEU-ALA-GLU-VAL-ILE-LEU-LYS-LYS-GLN, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGTT, ... | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | Deposit date: | 2023-08-20 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol., 436, 2024
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6OOI
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![BU of 6ooi by Molmil](/molmil-images/mine/6ooi) | |
4MNT
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![BU of 4mnt by Molmil](/molmil-images/mine/4mnt) | Crystal structure of human DJ-1 in complex with Cu | Descriptor: | COPPER (II) ION, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-09-11 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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8SBB
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![BU of 8sbb by Molmil](/molmil-images/mine/8sbb) | Cryo-EM structure of FtAlkB | Descriptor: | Alkane 1-monooxygenase, DODECANE, FE (III) ION, ... | Authors: | Zhang, J, Feng, L. | Deposit date: | 2023-04-03 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Structure and mechanism of the alkane-oxidizing enzyme AlkB. Nat Commun, 14, 2023
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8JIL
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![BU of 8jil by Molmil](/molmil-images/mine/8jil) | Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | CHOLESTEROL, 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: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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4HVP
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![BU of 4hvp by Molmil](/molmil-images/mine/4hvp) | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution | Descriptor: | HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | Authors: | Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A. | Deposit date: | 1989-08-08 | Release date: | 1990-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution. Science, 246, 1989
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3WMC
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![BU of 3wmc by Molmil](/molmil-images/mine/3wmc) | Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase | Authors: | Chen, L, Zhou, Y, Chen, L, Yang, Q. | Deposit date: | 2013-11-16 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs Sci Rep, 4, 2014
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8JII
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![BU of 8jii by Molmil](/molmil-images/mine/8jii) | Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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8JHY
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![BU of 8jhy by Molmil](/molmil-images/mine/8jhy) | Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-25 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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8JIM
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![BU of 8jim by Molmil](/molmil-images/mine/8jim) | Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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4L6E
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![BU of 4l6e by Molmil](/molmil-images/mine/4l6e) | Crystal Structure of the RanBD1 fourth domain of E3 SUMO-protein ligase RanBP2. Northeast Structural Genomics Consortium (NESG) Target HR9193b | Descriptor: | E3 SUMO-protein ligase RanBP2 | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Mao, L, Xiao, R, Maglaqui, M, Kogan, S, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-12 | Release date: | 2013-06-26 | Method: | X-RAY DIFFRACTION (2.496 Å) | Cite: | Crystal Structure of the RanBD1 fourth domain of E3 SUMO-protein ligase RanBP2. To be Published
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1RGX
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![BU of 1rgx by Molmil](/molmil-images/mine/1rgx) | Crystal Structure of resisitin | Descriptor: | Resistin | Authors: | Patel, S.D, Rajala, M.W, Scherer, P.E, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-11-13 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | Disulfide-dependent multimeric assembly of resistin family hormones Science, 304, 2004
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8JI8
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![BU of 8ji8 by Molmil](/molmil-images/mine/8ji8) | Crystal Structure of Prophenoloxidase PPO6 chimeric mutant (F215EASNRAIVD224 to G215DGPDSVVR223) from Aedes aegypti | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, ... | Authors: | Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q. | Deposit date: | 2023-05-26 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mosquitoes have evolved two types of prophenoloxidases To Be Published
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8JI5
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![BU of 8ji5 by Molmil](/molmil-images/mine/8ji5) | Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+ | Descriptor: | 5-bromo-L-tryptophan, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI4
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![BU of 8ji4 by Molmil](/molmil-images/mine/8ji4) | Crystal structure of AetD in complex with 5-bromo-L-tryptophan | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI3
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![BU of 8ji3 by Molmil](/molmil-images/mine/8ji3) | Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan and two Fe2+ | Descriptor: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI6
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![BU of 8ji6 by Molmil](/molmil-images/mine/8ji6) | Crystal structure of AetD in complex with L-tryptophan | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI2
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![BU of 8ji2 by Molmil](/molmil-images/mine/8ji2) | Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan | Descriptor: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JIB
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![BU of 8jib by Molmil](/molmil-images/mine/8jib) | Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, TK receptor | Authors: | Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q. | Deposit date: | 2023-05-26 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Mosquitoes have evolved two types of prophenoloxidases To Be Published
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