5KWW
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![BU of 5kww by Molmil](/molmil-images/mine/5kww) | Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ... | Authors: | McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P. | Deposit date: | 2016-07-19 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor. Nat Commun, 8, 2017
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1H1S
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![BU of 1h1s by Molmil](/molmil-images/mine/1h1s) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
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3S5L
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![BU of 3s5l by Molmil](/molmil-images/mine/3s5l) | Crystal structure of CD4 mutant bound to HLA-DR1 | Descriptor: | GLYCEROL, HA peptide, HLA class II histocompatibility antigen DR beta chain, ... | Authors: | Li, Y. | Deposit date: | 2011-05-23 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Affinity maturation of human CD4 by yeast surface display and crystal structure of a CD4-HLA-DR1 complex. Proc.Natl.Acad.Sci.USA, 108, 2011
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1H1P
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![BU of 1h1p by Molmil](/molmil-images/mine/1h1p) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 | Descriptor: | 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor Nat.Struct.Biol., 9, 2002
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7MSD
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![BU of 7msd by Molmil](/molmil-images/mine/7msd) | Structure of EED bound to EEDi-6068 | Descriptor: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | Authors: | Petrunak, E, Stuckey, J. | Deposit date: | 2021-05-11 | Release date: | 2021-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MSB
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![BU of 7msb by Molmil](/molmil-images/mine/7msb) | Structure of EED bound to EEDi-4259 | Descriptor: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | Authors: | Petrunak, E, Stuckey, J. | Deposit date: | 2021-05-11 | Release date: | 2021-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64, 2021
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7MGJ
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![BU of 7mgj by Molmil](/molmil-images/mine/7mgj) | |
7MGK
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![BU of 7mgk by Molmil](/molmil-images/mine/7mgk) | |
4OD6
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![BU of 4od6 by Molmil](/molmil-images/mine/4od6) | Structure of Smr domain of MutS2 from Deinococcus radiodurans, Mn2+ soaked | Descriptor: | Endonuclease MutS2 | Authors: | Zhang, H, Zhao, Y, Xu, Q, Hua, Y.J. | Deposit date: | 2014-01-10 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | Structural and functional studies of MutS2 from Deinococcus radiodurans. Dna Repair, 21, 2014
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1H1R
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![BU of 1h1r by Molmil](/molmil-images/mine/1h1r) | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 | Descriptor: | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | Deposit date: | 2002-07-21 | Release date: | 2002-09-19 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. Nat. Struct. Biol., 9, 2002
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4CFU
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![BU of 4cfu by Molmil](/molmil-images/mine/4cfu) | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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4CFX
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![BU of 4cfx by Molmil](/molmil-images/mine/4cfx) | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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2GP6
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![BU of 2gp6 by Molmil](/molmil-images/mine/2gp6) | |
2QLH
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![BU of 2qlh by Molmil](/molmil-images/mine/2qlh) | mPlum I65L mutant | Descriptor: | Fluorescent protein plum | Authors: | Shu, X, Remington, S.J. | Deposit date: | 2007-07-12 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein To be Published
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2QLG
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![BU of 2qlg by Molmil](/molmil-images/mine/2qlg) | mPlum | Descriptor: | Fluorescent protein plum | Authors: | Shu, X, Remington, S.J. | Deposit date: | 2007-07-12 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein To be Published
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2QLI
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![BU of 2qli by Molmil](/molmil-images/mine/2qli) | mPlum E16Q mutant | Descriptor: | Fluorescent protein plum | Authors: | Shu, X, Remington, S.J. | Deposit date: | 2007-07-12 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein To be Published
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3DDW
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![BU of 3ddw by Molmil](/molmil-images/mine/3ddw) | Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055 | Descriptor: | (2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Nolte, R.T. | Deposit date: | 2008-06-06 | Release date: | 2009-01-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy. Bioorg.Med.Chem.Lett., 19, 2009
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3DDS
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![BU of 3dds by Molmil](/molmil-images/mine/3dds) | |
8HR2
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![BU of 8hr2 by Molmil](/molmil-images/mine/8hr2) | Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6 | Descriptor: | NB1B5, NB1C6, Spike protein S1 | Authors: | Sun, Z. | Deposit date: | 2022-12-14 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes. J.Struct.Biol., 215, 2023
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5EA8
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![BU of 5ea8 by Molmil](/molmil-images/mine/5ea8) | Crystal Structure of Prefusion RSV F Glycoprotein Fusion Inhibitor Resistance Mutant D489Y | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, D(-)-TARTARIC ACID, Fusion glycoprotein F0, ... | Authors: | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | Deposit date: | 2015-10-15 | Release date: | 2015-12-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
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8GY4
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![BU of 8gy4 by Molmil](/molmil-images/mine/8gy4) | Crystal structure of Alongshan virus methyltransferase | Descriptor: | Methyltransferase | Authors: | Chen, H, Lin, S, Lu, G.W. | Deposit date: | 2022-09-21 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses. Plos Pathog., 19, 2023
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8GY9
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![BU of 8gy9 by Molmil](/molmil-images/mine/8gy9) | |
8H5U
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![BU of 8h5u by Molmil](/molmil-images/mine/8h5u) | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ... | Authors: | Yang, J, Lin, S, Lu, G.W. | Deposit date: | 2022-10-13 | Release date: | 2023-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization. Plos Pathog., 19, 2023
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6IPY
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![BU of 6ipy by Molmil](/molmil-images/mine/6ipy) | |
8H5T
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![BU of 8h5t by Molmil](/molmil-images/mine/8h5t) | |