2BPA
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![BU of 2bpa by Molmil](/molmil-images/mine/2bpa) | ATOMIC STRUCTURE OF SINGLE-STRANDED DNA BACTERIOPHAGE PHIX174 AND ITS FUNCTIONAL IMPLICATIONS | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*C)-3'), PROTEIN (SUBUNIT OF BACTERIOPHAGE PHIX174) | Authors: | McKenna, R, Xia, D, Willingmann, P, Ilag, L.L, Krishnaswamy, S, Rossmann, M.G, Olson, N.H, Baker, T.S, Incardona, N.L. | Deposit date: | 1991-12-03 | Release date: | 1991-12-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Atomic structure of single-stranded DNA bacteriophage phi X174 and its functional implications. Nature, 355, 1992
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1CHH
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![BU of 1chh by Molmil](/molmil-images/mine/1chh) | |
1CRI
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![BU of 1cri by Molmil](/molmil-images/mine/1cri) | |
1CHJ
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![BU of 1chj by Molmil](/molmil-images/mine/1chj) | |
3S2O
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![BU of 3s2o by Molmil](/molmil-images/mine/3s2o) | Fragment based discovery and optimisation of bace-1 inhibitors | Descriptor: | (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide, Beta-secretase 1, IODIDE ION | Authors: | Madden, J, Godemann, R, Smith, M.A, Hallett, D, Barker, J, Kraemer, J. | Deposit date: | 2011-05-17 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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1CRG
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![BU of 1crg by Molmil](/molmil-images/mine/1crg) | |
1CRJ
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![BU of 1crj by Molmil](/molmil-images/mine/1crj) | |
1CTY
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![BU of 1cty by Molmil](/molmil-images/mine/1cty) | |
1CTZ
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![BU of 1ctz by Molmil](/molmil-images/mine/1ctz) | |
1CHI
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![BU of 1chi by Molmil](/molmil-images/mine/1chi) | |
1CRH
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![BU of 1crh by Molmil](/molmil-images/mine/1crh) | |
7KK6
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![BU of 7kk6 by Molmil](/molmil-images/mine/7kk6) | |
7KKQ
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![BU of 7kkq by Molmil](/molmil-images/mine/7kkq) | |
7KK2
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![BU of 7kk2 by Molmil](/molmil-images/mine/7kk2) | Structure of the catalytic domain of PARP1 | Descriptor: | Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
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7KK5
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![BU of 7kk5 by Molmil](/molmil-images/mine/7kk5) | |
7KKP
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7KKO
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![BU of 7kko by Molmil](/molmil-images/mine/7kko) | Structure of the catalytic domain of tankyrase 1 in complex with olaparib | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase, ZINC ION | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
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7KKM
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![BU of 7kkm by Molmil](/molmil-images/mine/7kkm) | Structure of the catalytic domain of tankyrase 1 | Descriptor: | Poly [ADP-ribose] polymerase, ZINC ION | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
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7KKN
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![BU of 7kkn by Molmil](/molmil-images/mine/7kkn) | Structure of the catalytic domain of tankyrase 1 in complex with talazoparib | Descriptor: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Poly [ADP-ribose] polymerase, ... | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
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7KK4
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![BU of 7kk4 by Molmil](/molmil-images/mine/7kk4) | Structure of the catalytic domain of PARP1 in complex with olaparib | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
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7KK3
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![BU of 7kk3 by Molmil](/molmil-images/mine/7kk3) | Structure of the catalytic domain of PARP1 in complex with talazoparib | Descriptor: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, Poly [ADP-ribose] polymerase 1 | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
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7LMX
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![BU of 7lmx by Molmil](/molmil-images/mine/7lmx) | A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-06 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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7LMV
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![BU of 7lmv by Molmil](/molmil-images/mine/7lmv) | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | Descriptor: | Integrin inhibitor | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | Deposit date: | 2021-02-05 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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3MSJ
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![BU of 3msj by Molmil](/molmil-images/mine/3msj) | Structure of bace (beta secretase) in complex with inhibitor | Descriptor: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL | Authors: | Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R. | Deposit date: | 2010-04-29 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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8TCF
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![BU of 8tcf by Molmil](/molmil-images/mine/8tcf) | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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