4UUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uug by Molmil](/molmil-images/mine/4uug) | The (R)-selective amine transaminase from Aspergillus fumigatus with inhibitor bound | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ... | Authors: | Thomsen, M, Hinrichs, W. | Deposit date: | 2014-07-28 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of the Dual Substrate Recognition of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus FEBS J., 282, 2015
|
|
4FE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fe6 by Molmil](/molmil-images/mine/4fe6) | Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease | Authors: | Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H. | Deposit date: | 2012-05-29 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enamino-oxindole HIV protease inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
7D98
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d98 by Molmil](/molmil-images/mine/7d98) | |
8XJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xj0 by Molmil](/molmil-images/mine/8xj0) | Crystal structure of AmFab mutant - P40C/E165C (Light chain), G10C/P210C(Heavy chain) | Descriptor: | Adalimumab Fab Heavy chain, Adalimumab Fab Light chain | Authors: | Senda, M, Yoshikawa, M, Nakamura, H, Ohkuri, T, Senda, T. | Deposit date: | 2023-12-20 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Stabilization of adalimumab Fab through the introduction of disulfide bonds between the variable and constant domains. Biochem.Biophys.Res.Commun., 700, 2024
|
|
7BAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bax by Molmil](/molmil-images/mine/7bax) | Crystal structure of LYS11 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LysM type receptor kinase | Authors: | Laursen, M, Cheng, J, Gysel, K, Blaise, M, Andersen, K.R. | Deposit date: | 2020-12-16 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Kinetic proofreading of lipochitooligosaccharides determines signal activation of symbiotic plant receptors. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
8PXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pxv by Molmil](/molmil-images/mine/8pxv) | Targeting extended blood antigens by Akkermansia muciniphila enzymes unveils a missing link for generating universal donor blood | Descriptor: | Beta-N-acetylhexosaminidase, GLYCEROL, SODIUM ION, ... | Authors: | Weikum, J, Jensen, M, Abou Hachem, M, Morth, J.P. | Deposit date: | 2023-07-24 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Akkermansia muciniphila exoglycosidases target extended blood group antigens to generate ABO-universal blood. Nat Microbiol, 9, 2024
|
|
8RP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rp8 by Molmil](/molmil-images/mine/8rp8) | Structure of K2 Fab in complex with human CD47 ECD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Laursen, M, Kelpsas, V, Rose, N. | Deposit date: | 2024-01-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1. Mabs, 16, 2024
|
|
6I8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i8x by Molmil](/molmil-images/mine/6i8x) | As-p18, an extracellular fatty acid binding protein | Descriptor: | 1,2-ETHANEDIOL, Fatty acid-binding protein homolog, TRIS(HYDROXYETHYL)AMINOMETHANE, ... | Authors: | Gabrielsen, M, Riboldi-Tunnicliffe, A, Ibanez-Shimabukuro, M, Smith, B.O. | Deposit date: | 2018-11-21 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | As-p18, an extracellular fatty acid binding protein of nematodes, exhibits unusual structural features. Biosci.Rep., 2019
|
|
4XCP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xcp by Molmil](/molmil-images/mine/4xcp) | Fatty Acid and Retinol binding protein Na-FAR-1 from Necator americanus | Descriptor: | Nematode fatty acid retinoid binding protein, PALMITIC ACID | Authors: | Gabrielsen, M, Rey-Burusco, M.F, Ibanez-Shimabukuro, M, Griffiths, K, Kennedy, M.W, Corsico, B, Smith, B.O. | Deposit date: | 2014-12-18 | Release date: | 2015-09-16 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Diversity in the structures and ligand-binding sites of nematode fatty acid and retinol-binding proteins revealed by Na-FAR-1 from Necator americanus. Biochem.J., 471, 2015
|
|
5X7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x7b by Molmil](/molmil-images/mine/5x7b) | Crystal structure of SHP2_SH2-CagA EPIYA_C peptide complex | Descriptor: | CagA, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Senda, M, Senda, T. | Deposit date: | 2017-02-24 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins. Cell Rep, 20, 2017
|
|
7Q6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q6o by Molmil](/molmil-images/mine/7q6o) | Structure of WrbA from Yersinia pseudotuberculosis in C2221 | Descriptor: | CHLORIDE ION, NAD(P)H dehydrogenase (quinone) | Authors: | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | Deposit date: | 2021-11-08 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds. Microbiology (Reading, Engl.), 168, 2022
|
|
7Q6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q6n by Molmil](/molmil-images/mine/7q6n) | Structure of WrbA from Salmonella Typhimurium bound to ME0052 | Descriptor: | 2-azanyl-4,6-bis(bromanyl)phenol, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone), ... | Authors: | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | Deposit date: | 2021-11-08 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds. Microbiology (Reading, Engl.), 168, 2022
|
|
7Q6M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q6m by Molmil](/molmil-images/mine/7q6m) | Structure of WrbA from Yersinia pseudotuberculosis in P1 | Descriptor: | CHLORIDE ION, NAD(P)H dehydrogenase (quinone) | Authors: | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | Deposit date: | 2021-11-08 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds. Microbiology (Reading, Engl.), 168, 2022
|
|
5X94
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x94 by Molmil](/molmil-images/mine/5x94) | Crystal structure of SHP2_SH2-CagA EPIYA_D peptide complex | Descriptor: | Cag pathogenicity island protein, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Senda, M, Senda, T. | Deposit date: | 2017-03-05 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins. Cell Rep, 20, 2017
|
|
8P1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p1v by Molmil](/molmil-images/mine/8p1v) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound 2 | Descriptor: | 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ... | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | Deposit date: | 2023-05-12 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorg.Med.Chem.Lett., 94, 2023
|
|
8P1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p1w by Molmil](/molmil-images/mine/8p1w) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591 | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ... | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | Deposit date: | 2023-05-12 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorg.Med.Chem.Lett., 94, 2023
|
|
8P4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p4h by Molmil](/molmil-images/mine/8p4h) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A | Descriptor: | 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | Deposit date: | 2023-05-21 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorg.Med.Chem.Lett., 94, 2023
|
|
8P1T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p1t by Molmil](/molmil-images/mine/8p1t) | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470 | Descriptor: | 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ... | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | Deposit date: | 2023-05-12 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.442 Å) | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening. Bioorg.Med.Chem.Lett., 94, 2023
|
|
6Y3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y3j by Molmil](/molmil-images/mine/6y3j) | RING-DTC domains of Deltex 2, bound to ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Probable E3 ubiquitin-protein ligase DTX2, ZINC ION | Authors: | Gabrielssen, M, Buetow, L, Huang, D.T. | Deposit date: | 2020-02-18 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination. Sci Adv, 6, 2020
|
|
6Y22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y22 by Molmil](/molmil-images/mine/6y22) | RING-DTC domains of Deltex 2, Form 1 | Descriptor: | Probable E3 ubiquitin-protein ligase DTX2, ZINC ION | Authors: | Gabrielssen, M, Buetow, L, Huang, D.T. | Deposit date: | 2020-02-14 | Release date: | 2020-09-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.069 Å) | Cite: | DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination. Sci Adv, 6, 2020
|
|
6GW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gw6 by Molmil](/molmil-images/mine/6gw6) | |
5LNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lnl by Molmil](/molmil-images/mine/5lnl) | Crystal structure of Hsf 1608-1749 putative domain 1 | Descriptor: | Hsf | Authors: | Thomsen, M, Wright, J, Ridley, J, Goldman, A. | Deposit date: | 2016-08-05 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The crystal structure of PD1, a Haemophilus surface fibril domain. Acta Crystallogr F Struct Biol Commun, 73, 2017
|
|
6Y5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y5n by Molmil](/molmil-images/mine/6y5n) | RING-DTC domain of Deltex1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, E3 ubiquitin-protein ligase DTX1, ... | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | Deposit date: | 2020-02-25 | Release date: | 2020-09-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases. Sci Adv, 6, 2020
|
|
6Y5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y5p by Molmil](/molmil-images/mine/6y5p) | RING-DTC domain of Deltex1 bound to NAD | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase DTX1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | Deposit date: | 2020-02-25 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases. Sci Adv, 6, 2020
|
|
6Y2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y2x by Molmil](/molmil-images/mine/6y2x) | RING-DTC domains of Deltex 2, Form 2 | Descriptor: | Probable E3 ubiquitin-protein ligase DTX2, ZINC ION | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | Deposit date: | 2020-02-17 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination. Sci Adv, 6, 2020
|
|