5O38
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![BU of 5o38 by Molmil](/molmil-images/mine/5o38) | Human Brd2(BD2) mutant in free form | Descriptor: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, 3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol, Bromodomain-containing protein 2, ... | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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5O3C
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![BU of 5o3c by Molmil](/molmil-images/mine/5o3c) | Human Brd2(BD2) mutant in complex with 9-Me | Descriptor: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | Authors: | Runcie, A.C, Chan, K.-H, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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5O3B
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![BU of 5o3b by Molmil](/molmil-images/mine/5o3b) | Human Brd2(BD2) mutant in complex with AL | Descriptor: | Bromodomain-containing protein 2, methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate | Authors: | Runcie, A.C, Chan, K.-H, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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6VN7
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![BU of 6vn7 by Molmil](/molmil-images/mine/6vn7) | Cryo-EM structure of an activated VIP1 receptor-G protein 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: | Duan, J, Shen, D.-D, Zhou, X.E, Liu, Q.-F, Zhuang, Y.-W, Zhang, H.-B, Xu, P.-Y, Ma, S.-S, He, X.-H, Melcher, K, Zhang, Y, Xu, H.E, Yi, J. | Deposit date: | 2020-01-29 | Release date: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of an activated VIP1 receptor-G protein complex revealed by a NanoBiT tethering strategy. Nat Commun, 11, 2020
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6RP9
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![BU of 6rp9 by Molmil](/molmil-images/mine/6rp9) | Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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5O3D
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![BU of 5o3d by Molmil](/molmil-images/mine/5o3d) | Human Brd2(BD2) mutant in complex with 9-ET | Descriptor: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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4EN4
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![BU of 4en4 by Molmil](/molmil-images/mine/4en4) | Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K. | Deposit date: | 2012-04-12 | Release date: | 2012-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition. Plos One, 7, 2012
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4EOH
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![BU of 4eoh by Molmil](/molmil-images/mine/4eoh) | Crystal Structure of Human PL Kinase with bound Theophylline | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Pyridoxal Kinase, SODIUM ION, ... | Authors: | Safo, M.K, Gandhi, A.K, Musayev, F.N. | Deposit date: | 2012-04-14 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition. Plos One, 7, 2012
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7ALL
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![BU of 7all by Molmil](/molmil-images/mine/7all) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4) | Descriptor: | Arylsulfatase, CALCIUM ION, IODIDE ION, ... | Authors: | Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A. | Deposit date: | 2020-10-06 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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7AN1
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![BU of 7an1 by Molmil](/molmil-images/mine/7an1) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20) | Descriptor: | Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | Deposit date: | 2020-10-10 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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7ANB
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![BU of 7anb by Molmil](/molmil-images/mine/7anb) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ... | Authors: | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | Deposit date: | 2020-10-11 | Release date: | 2021-10-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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7ANA
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![BU of 7ana by Molmil](/molmil-images/mine/7ana) | A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | Authors: | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | Deposit date: | 2020-10-11 | Release date: | 2021-11-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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8SNB
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![BU of 8snb by Molmil](/molmil-images/mine/8snb) | |
6MOU
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![BU of 6mou by Molmil](/molmil-images/mine/6mou) | |
6NE9
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![BU of 6ne9 by Molmil](/molmil-images/mine/6ne9) | Bacteroides intestinalis acetyl xylan esterase (BACINT_01039) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Koropatkin, N.M, Pereira, G.V, Cann, I. | Deposit date: | 2018-12-17 | Release date: | 2019-12-25 | Last modified: | 2021-01-27 | Method: | X-RAY DIFFRACTION (1.738 Å) | Cite: | Degradation of complex arabinoxylans by human colonic Bacteroidetes Nat Commun, 2021
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6OZH
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![BU of 6ozh by Molmil](/molmil-images/mine/6ozh) | |
6OZI
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![BU of 6ozi by Molmil](/molmil-images/mine/6ozi) | |
1T8V
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![BU of 1t8v by Molmil](/molmil-images/mine/1t8v) | |
8OV6
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![BU of 8ov6 by Molmil](/molmil-images/mine/8ov6) | Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ... | Authors: | Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A. | Deposit date: | 2023-04-25 | Release date: | 2023-05-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Targeted protein degradation via intramolecular bivalent glues. Nature, 627, 2024
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1T7M
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![BU of 1t7m by Molmil](/molmil-images/mine/1t7m) | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxYF motif | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | Deposit date: | 2004-05-10 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface. Plos Biol., 2, 2004
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1T74
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![BU of 1t74 by Molmil](/molmil-images/mine/1t74) | Crystal structure of the androgen receptor ligand binding domain in complex with a WxxLF motif | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | Deposit date: | 2004-05-07 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface. Plos Biol., 2, 2004
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6YTM
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![BU of 6ytm by Molmil](/molmil-images/mine/6ytm) | Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Bromodomain-containing protein 2, methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate | Authors: | Bond, A.G, Ciulli, A, Cowan, A.D. | Deposit date: | 2020-04-24 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Stereoselective synthesis of allele-specific BET inhibitors. Org.Biomol.Chem., 18, 2020
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3GZY
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![BU of 3gzy by Molmil](/molmil-images/mine/3gzy) | Crystal Structure of the Biphenyl Dioxygenase from Comamonas testosteroni Sp. Strain B-356 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Biphenyl dioxygenase subunit alpha, Biphenyl dioxygenase subunit beta, ... | Authors: | Kumar, P, Colbert, C.L, Bolin, J.T. | Deposit date: | 2009-04-08 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes Plos One, 8, 2013
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3GZX
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![BU of 3gzx by Molmil](/molmil-images/mine/3gzx) | Crystal Structure of the Biphenyl Dioxygenase in complex with Biphenyl from Comamonas testosteroni Sp. Strain B-356 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BIPHENYL, Biphenyl dioxygenase subunit alpha, ... | Authors: | Kumar, P, Colbert, C.L, Bolin, J.T. | Deposit date: | 2009-04-08 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes Plos One, 8, 2013
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7DRD
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![BU of 7drd by Molmil](/molmil-images/mine/7drd) | Cryo-EM structure of DgpB-C at 2.85 angstrom resolution | Descriptor: | AP_endonuc_2 domain-containing protein, DgpB | Authors: | Mori, T, Moriya, T, Adachi, N, Senda, T, Abe, I. | Deposit date: | 2020-12-28 | Release date: | 2021-12-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes. Nat Commun, 12, 2021
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