4U9W
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![BU of 4u9w by Molmil](/molmil-images/mine/4u9w) | Crystal Structure of NatD bound to H4/H2A peptide and CoA | Descriptor: | COENZYME A, GLYCEROL, Histone H4/H2A N-terminus, ... | Authors: | Magin, R.S, Liszczak, G.P, Marmorstein, R. | Deposit date: | 2014-08-06 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The Molecular Basis for Histone H4- and H2A-Specific Amino-Terminal Acetylation by NatD. Structure, 23, 2015
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8HI2
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4ZVF
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![BU of 4zvf by Molmil](/molmil-images/mine/4zvf) | Crystal structure of GGDEF domain of the E. coli DosC - form II (GTP-alpha-S-bound) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Diguanylate cyclase DosC, ... | Authors: | Tarnawski, M, Barends, T.R.M, Schlichting, I. | Deposit date: | 2015-05-18 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural analysis of an oxygen-regulated diguanylate cyclase. Acta Crystallogr.,Sect.D, 71, 2015
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4UEH
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![BU of 4ueh by Molmil](/molmil-images/mine/4ueh) | Thrombin in complex with benzamidine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, GLYCEROL, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2014-12-17 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
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4ZXE
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![BU of 4zxe by Molmil](/molmil-images/mine/4zxe) | X-ray crystal structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5. | Descriptor: | 1,2-ETHANEDIOL, Glucanase/Chitosanase, SULFATE ION | Authors: | Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T. | Deposit date: | 2015-05-20 | Release date: | 2016-04-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase Biochem.J., 473, 2016
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8H70
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8HDF
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![BU of 8hdf by Molmil](/molmil-images/mine/8hdf) | Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms. Front Microbiol, 14, 2023
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4UE7
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![BU of 4ue7 by Molmil](/molmil-images/mine/4ue7) | Thrombin in complex with 1-amidinopiperidine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2014-12-16 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.129 Å) | Cite: | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
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5A98
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![BU of 5a98 by Molmil](/molmil-images/mine/5a98) | Crystal structure of Trichoplusia ni CPV15 polyhedra | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, POLYHEDRIN | Authors: | Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.816 Å) | Cite: | Polyhedra Structures and the Evolution of the Insect Viruses. J.Struct.Biol., 192, 2015
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8H7B
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![BU of 8h7b by Molmil](/molmil-images/mine/8h7b) | The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA | Descriptor: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-19 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46408451 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
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8H7F
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![BU of 8h7f by Molmil](/molmil-images/mine/8h7f) | The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA | Descriptor: | 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-20 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45013428 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
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4ZTE
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![BU of 4zte by Molmil](/molmil-images/mine/4zte) | Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor | Descriptor: | CALCIUM ION, Cadherin-1, N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine | Authors: | Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E. | Deposit date: | 2015-05-14 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction. J.Med.Chem., 59, 2016
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8HLO
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![BU of 8hlo by Molmil](/molmil-images/mine/8hlo) | Crystal structure of ASAP1-SH3 and MICAL1-PRM complex | Descriptor: | Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1, Proline rich motif from MICAL1, ... | Authors: | Niu, F, Wei, Z, Yu, C. | Deposit date: | 2022-11-30 | Release date: | 2023-02-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.168 Å) | Cite: | Crystal Structure of the SH3 Domain of ASAP1 in Complex with the Proline Rich Motif (PRM) of MICAL1 Reveals a Unique SH3/PRM Interaction Mode. Int J Mol Sci, 24, 2023
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4U6L
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![BU of 4u6l by Molmil](/molmil-images/mine/4u6l) | Crystal structure of DNA/RNA duplex obtained in the presence of [Co(NH3)6]Cl3 and SrCl2 | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3'), ... | Authors: | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | Deposit date: | 2014-07-29 | Release date: | 2015-08-19 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA. Chem.Commun.(Camb.), 52, 2016
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8HTW
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3MH0
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![BU of 3mh0 by Molmil](/molmil-images/mine/3mh0) | Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-04-07 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
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4ZTH
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![BU of 4zth by Molmil](/molmil-images/mine/4zth) | Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor discovery | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-chloro-3-phenyl-4-(pyridin-4-yl)pyridazine, BETA-MERCAPTOETHANOL, ... | Authors: | Grum-Tokars, V.L, Roy, S.M, Watterson, D.M. | Deposit date: | 2015-05-14 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
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4ZWM
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![BU of 4zwm by Molmil](/molmil-images/mine/4zwm) | 2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 | Descriptor: | Ornithine aminotransferase, mitochondrial, putative, ... | Authors: | Filippova, E.V, Minasov, G, Flores, K, Van Le, H, Silverman, R.B, McLeod, R, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-19 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 To Be Published
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8HE0
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4U6X
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![BU of 4u6x by Molmil](/molmil-images/mine/4u6x) | Crystal Structure of HLA-A*0201 in complex with ALQDA, a 15 mer self-peptide | Descriptor: | ALQDA peptide, ALQDAGDSSRKEYFI, Beta-2-microglobulin, ... | Authors: | Gras, S, Chabrol, E, Rossjohn, J. | Deposit date: | 2014-07-30 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides. J.Biol.Chem., 290, 2015
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4ZXD
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![BU of 4zxd by Molmil](/molmil-images/mine/4zxd) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD | Descriptor: | Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.052 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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8HBS
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![BU of 8hbs by Molmil](/molmil-images/mine/8hbs) | Crystal of rAlfNmt | Descriptor: | Glycylpeptide N-tetradecanoyltransferase | Authors: | Wang, Y, Wang, S. | Deposit date: | 2022-10-30 | Release date: | 2023-03-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | N -Myristoyltransferase, a Potential Antifungal Candidate Drug-Target for Aspergillus flavus. Microbiol Spectr, 11, 2023
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2LUP
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8HFB
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![BU of 8hfb by Molmil](/molmil-images/mine/8hfb) | Evolved variant of quercetin 2,4-dioxygenase from Bacillus subtilis | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NICKEL (II) ION, ... | Authors: | Eom, H, Song, W.J. | Deposit date: | 2022-11-10 | Release date: | 2023-03-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Underlying Role of Hydrophobic Environments in Tuning Metal Elements for Efficient Enzyme Catalysis. J.Am.Chem.Soc., 145, 2023
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4ZXO
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![BU of 4zxo by Molmil](/molmil-images/mine/4zxo) | The structure of a GH26 beta-mannanase from Bacteroides ovatus, BoMan26A. | Descriptor: | Glycosyl hydrolase family 26, PHOSPHATE ION, POTASSIUM ION | Authors: | Bagenholm, V, Aurelius, O, Logan, D.T, Bouraoui, H, Stalbrand, H. | Deposit date: | 2015-05-20 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galactomannan Catabolism Conferred by a Polysaccharide Utilization Locus of Bacteroides ovatus: ENZYME SYNERGY AND CRYSTAL STRUCTURE OF A beta-MANNANASE. J. Biol. Chem., 292, 2017
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