5V5P
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2K7R
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![BU of 2k7r by Molmil](/molmil-images/mine/2k7r) | N-terminal domain of the Bacillus subtilis helicase-loading protein DnaI | Descriptor: | Primosomal protein dnaI, ZINC ION | Authors: | Loscha, K.V, Jaudzems, K, Ioannou, C, Su, X.C, Hill, F.R, Otting, G, Dixon, N.E, Liepinsh, E. | Deposit date: | 2008-08-19 | Release date: | 2009-03-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A novel zinc-binding fold in the helicase interaction domain of the Bacillus subtilis DnaI helicase loader Nucleic Acids Res., 37, 2009
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2M66
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![BU of 2m66 by Molmil](/molmil-images/mine/2m66) | Endoplasmic reticulum protein 29 (ERp29) C-terminal domain: 3D Protein Fold Determination from Backbone Amide Pseudocontact Shifts Generated by Lanthanide Tags at Multiple Sites | Descriptor: | Endoplasmic reticulum resident protein 29 | Authors: | Yagi, H, Pilla, K, Maleckis, A, Graham, B, Huber, T, Otting, G. | Deposit date: | 2013-03-26 | Release date: | 2013-07-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Three-dimensional protein fold determination from backbone amide pseudocontact shifts generated by lanthanide tags at multiple sites Structure, 21, 2013
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2JGP
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![BU of 2jgp by Molmil](/molmil-images/mine/2jgp) | Structure of the TycC5-6 PCP-C bidomain of the tyrocidine synthetase TycC | Descriptor: | 1,4-DIETHYLENE DIOXIDE, SODIUM ION, SULFATE ION, ... | Authors: | Samel, S.A, Schoenafinger, G, Knappe, T.A, Marahiel, M.A, Essen, L.-O. | Deposit date: | 2007-02-13 | Release date: | 2007-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Functional Insights Into a Peptide Bond-Forming Bidomain from a Nonribosomal Peptide Synthetase. Structure, 15, 2007
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3FDS
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4I1K
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![BU of 4i1k by Molmil](/molmil-images/mine/4i1k) | Crystal Structure of VRN1 (Residues 208-341) | Descriptor: | B3 domain-containing transcription factor VRN1, CHLORIDE ION | Authors: | King, G, Chanson, A.H, McCallum, E.J, Ohme-Takagi, M, Byriel, K, Hill, J.M, Martin, J.L, Mylne, J.S. | Deposit date: | 2012-11-21 | Release date: | 2012-12-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Arabidopsis B3 Domain Protein VERNALIZATION1 (VRN1) Is Involved in Processes Essential for Development, with Structural and Mutational Studies Revealing Its DNA-binding Surface. J.Biol.Chem., 288, 2013
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6Q74
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![BU of 6q74 by Molmil](/molmil-images/mine/6q74) | PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide | Authors: | Convery, M.A, Rowland, P, Down, K, Barton, N. | Deposit date: | 2018-12-12 | Release date: | 2018-12-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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4W7P
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![BU of 4w7p by Molmil](/molmil-images/mine/4w7p) | Crystal Structure of ROCK 1 bound to YB-15-QD37 | Descriptor: | N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1 | Authors: | Sprague, E.R. | Deposit date: | 2014-08-22 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Bioorg.Med.Chem.Lett., 24, 2014
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6W0W
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![BU of 6w0w by Molmil](/molmil-images/mine/6w0w) | Structure of KHK in complex with compound 3 | Descriptor: | 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION | Authors: | Jasti, J. | Deposit date: | 2020-03-03 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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6W0Y
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6W0N
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![BU of 6w0n by Molmil](/molmil-images/mine/6w0n) | Structure of KHK in complex with compound 2 | Descriptor: | 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | Authors: | Jasti, J. | Deposit date: | 2020-03-02 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J.Med.Chem., 63, 2020
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6CXF
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2IO4
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![BU of 2io4 by Molmil](/molmil-images/mine/2io4) | Crystal structure of PCNA12 dimer from Sulfolobus solfataricus. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DNA polymerase sliding clamp B, ... | Authors: | Hlinkova, V, Ling, H. | Deposit date: | 2006-10-09 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of monomeric, dimeric and trimeric PCNA: PCNA-ring assembly and opening. Acta Crystallogr.,Sect.D, 64, 2008
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6ITX
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8VRG
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![BU of 8vrg by Molmil](/molmil-images/mine/8vrg) | E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines | Descriptor: | Peptidyl-prolyl cis-trans isomerase B | Authors: | Frkic, R.L, Jackson, C.J. | Deposit date: | 2024-01-22 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein. Biochemistry, 63, 2024
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8VRH
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![BU of 8vrh by Molmil](/molmil-images/mine/8vrh) | E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Frkic, R.L, Jackson, C.J. | Deposit date: | 2024-01-22 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein. Biochemistry, 63, 2024
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8VRI
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![BU of 8vri by Molmil](/molmil-images/mine/8vri) | E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ... | Authors: | Frkic, R.L, Jackson, C.J. | Deposit date: | 2024-01-22 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein. Biochemistry, 63, 2024
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7SU1
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![BU of 7su1 by Molmil](/molmil-images/mine/7su1) | Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ... | Authors: | Lee, P.S, Chau, B, Strop, P. | Deposit date: | 2021-11-15 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Improved therapeutic index of an acidic pH-selective antibody. Mabs, 14, 2022
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7SU0
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![BU of 7su0 by Molmil](/molmil-images/mine/7su0) | Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ... | Authors: | Lee, P.S, Chau, B, Strop, P. | Deposit date: | 2021-11-15 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Improved therapeutic index of an acidic pH-selective antibody. Mabs, 14, 2022
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4U6P
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4U7C
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![BU of 4u7c by Molmil](/molmil-images/mine/4u7c) | Structure of DNA polymerase kappa in complex with benzopyrene adducted DNA | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jha, V.K, Ling, H. | Deposit date: | 2014-07-30 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and mechanism of error-free replication past the major benzo[a]pyrene adduct by human DNA polymerase kappa. Nucleic Acids Res., 44, 2016
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5L72
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4U2X
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![BU of 4u2x by Molmil](/molmil-images/mine/4u2x) | Ebola virus VP24 in complex with Karyopherin alpha 5 C-terminus | Descriptor: | CHLORIDE ION, Importin subunit alpha-6, Membrane-associated protein VP24 | Authors: | Xu, W, Leung, D, Borek, D, Amarasinghe, G. | Deposit date: | 2014-07-18 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.153 Å) | Cite: | Ebola Virus VP24 Targets a Unique NLS Binding Site on Karyopherin Alpha 5 to Selectively Compete with Nuclear Import of Phosphorylated STAT1. Cell Host Microbe, 16, 2014
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6Q6Y
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![BU of 6q6y by Molmil](/molmil-images/mine/6q6y) | PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide | Authors: | Convery, M.A, Rowland, P, Down, K, Barton, N. | Deposit date: | 2018-12-12 | Release date: | 2018-12-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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6OKE
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![BU of 6oke by Molmil](/molmil-images/mine/6oke) | |