6OQI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oqi by Molmil](/molmil-images/mine/6oqi) | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | Authors: | Murray, J.M. | Deposit date: | 2019-04-26 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6ORG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6org by Molmil](/molmil-images/mine/6org) | Crystal structure of SpGH29 | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2019-04-30 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Two complementary alpha-fucosidases fromStreptococcus pneumoniaepromote complete degradation of host-derived carbohydrate antigens. J.Biol.Chem., 294, 2019
|
|
7PO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7po9 by Molmil](/molmil-images/mine/7po9) | Crystal structure of ZAD-domain of M1BP protein from D.melanogaster | Descriptor: | LD30467p, ZINC ION | Authors: | Boyko, K.M, Bonchuk, A.N, Nikolaeva, A.Y, Georgiev, P.G, Popov, V.O. | Deposit date: | 2021-09-08 | Release date: | 2021-12-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into highly similar spatial organization of zinc-finger associated domains with a very low sequence similarity. Structure, 30, 2022
|
|
6KLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kll by Molmil](/molmil-images/mine/6kll) | F-actin of cardiac thin filament in low-calcium state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Oda, T, Yanagisawa, H, Wakabayashi, T. | Deposit date: | 2019-07-30 | Release date: | 2020-01-15 | Last modified: | 2020-03-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of cardiac thin filaments reveal the 3D architecture of troponin. J.Struct.Biol., 209, 2020
|
|
4TWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4twm by Molmil](/molmil-images/mine/4twm) | Crystal structure of dioscorin from Dioscorea japonica | Descriptor: | Dioscorin 5, SULFATE ION | Authors: | Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2014-07-01 | Release date: | 2015-04-01 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
|
|
7S2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s2w by Molmil](/molmil-images/mine/7s2w) | |
6OJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oje by Molmil](/molmil-images/mine/6oje) | Dimeric structure of LRRK2 GTPase domain | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION | Authors: | Hoang, Q.Q, Wu, C.X, Liao, J, Park, Y. | Deposit date: | 2019-04-11 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for conformational plasticity in the GTPase domain of the Parkinson's disease-associated protein LRRK2 To Be Published
|
|
4FYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fyt by Molmil](/molmil-images/mine/4fyt) | Human aminopeptidase N (CD13) in complex with amastatin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMASTATIN, ... | Authors: | Wong, A.H, Rini, J.M. | Deposit date: | 2012-07-05 | Release date: | 2012-09-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing. J.Biol.Chem., 287, 2012
|
|
6KHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kha by Molmil](/molmil-images/mine/6kha) | Solution structure of bovine insulin amyloid intermediate-2 | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A. | Deposit date: | 2019-07-14 | Release date: | 2020-08-12 | Last modified: | 2020-11-18 | Method: | SOLUTION NMR | Cite: | High-resolution structure of a partially folded insulin aggregation intermediate. Proteins, 88, 2020
|
|
5DQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dq9 by Molmil](/molmil-images/mine/5dq9) | Structure of S55-3 Fab in complex with Lipid A | Descriptor: | 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAb 44B1 light chain, ... | Authors: | Haji-Ghassemi, O, Evans, S.V. | Deposit date: | 2015-09-14 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Lipid A-antibody structures reveal a widely-utilized pocket specific for negatively charged groups derived from from unrelated V-genes J.Biol.Chem., 2015
|
|
2R6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r6g by Molmil](/molmil-images/mine/2r6g) | The Crystal Structure of the E. coli Maltose Transporter | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Maltose transport system permease protein malF, Maltose transport system permease protein malG, ... | Authors: | Oldham, M.L, Khare, D, Quiocho, F.A, Davidson, A.L, Chen, J. | Deposit date: | 2007-09-05 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a catalytic intermediate of the maltose transporter. Nature, 450, 2007
|
|
4UDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4udf by Molmil](/molmil-images/mine/4udf) | STRUCTURAL BASIS OF HUMAN PARECHOVIRUS NEUTRALIZATION BY HUMAN MONOCLONAL ANTIBODIES | Descriptor: | HUMAN MONOCLONAL ANTIBODY, Protein VP0, Protein VP3 | Authors: | Shakeel, S, Westerhuis, B.M, Ora, A, Koen, G, Bakker, A.Q, Claassen, Y, Beaumont, T, Wolthers, K.C, Butcher, S.J. | Deposit date: | 2014-12-10 | Release date: | 2015-07-22 | Last modified: | 2018-10-03 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Structural Basis of Human Parechovirus Neutralization by Human Monoclonal Antibodies. J. Virol., 89, 2015
|
|
6LGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lgb by Molmil](/molmil-images/mine/6lgb) | Bombyx mori GH13 sucrose hydrolase complexed with glucose | Descriptor: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Miyazaki, T. | Deposit date: | 2019-12-05 | Release date: | 2020-05-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-function analysis of silkworm sucrose hydrolase uncovers the mechanism of substrate specificity in GH13 subfamily 17exo-alpha-glucosidases. J.Biol.Chem., 295, 2020
|
|
6OH1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oh1 by Molmil](/molmil-images/mine/6oh1) | IgA1 Protease G5 domain structure | Descriptor: | Immunoglobulin A1 protease | Authors: | Eisenmesser, E.Z, Chi, Y.C, Paukovich, N, Redzic, J.S, Rahkola, J.T, Janoff, E.N. | Deposit date: | 2019-04-04 | Release date: | 2020-02-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Streptococcus pneumoniae G5 domains bind different ligands. Protein Sci., 28, 2019
|
|
6KU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ku2 by Molmil](/molmil-images/mine/6ku2) | The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412 | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-30 | Release date: | 2020-08-26 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
|
|
6OQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oq1 by Molmil](/molmil-images/mine/6oq1) | |
2R5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r5n by Molmil](/molmil-images/mine/2r5n) | Crystal structure of transketolase from Escherichia coli in noncovalent complex with acceptor aldose ribose 5-phosphate | Descriptor: | 1,2-ETHANEDIOL, 5-O-phosphono-beta-D-ribofuranose, CALCIUM ION, ... | Authors: | Parthier, C, Asztalos, P, Wille, G, Tittmann, K. | Deposit date: | 2007-09-04 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Strain and Near Attack Conformers in Enzymic Thiamin Catalysis: X-ray Crystallographic Snapshots of Bacterial Transketolase in Covalent Complex with Donor Ketoses Xylulose 5-phosphate and Fructose 6-phosphate, and in Noncovalent Complex with Acceptor Aldose Ribose 5-phosphate. Biochemistry, 46, 2007
|
|
7Q4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q4r by Molmil](/molmil-images/mine/7q4r) | Crystal structure of human HSP72-NBD in complex with fragment 1 | Descriptor: | 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide, Heat shock 70 kDa protein 1A, MAGNESIUM ION, ... | Authors: | Le Bihan, Y.V, Westwood, I.M, van Montfort, R.L.M. | Deposit date: | 2021-11-02 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70. Molecules, 27, 2022
|
|
6I5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i5w by Molmil](/molmil-images/mine/6i5w) | BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose | Descriptor: | ACETATE ION, Solute Binding Protein BlMnBP1, Blac_00780 in complex with mannopentaose, ... | Authors: | Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-11-14 | Release date: | 2019-04-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles. Mol.Microbiol., 112, 2019
|
|
6OJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ojr by Molmil](/molmil-images/mine/6ojr) | Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA | Descriptor: | GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION | Authors: | Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D. | Deposit date: | 2019-04-12 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase. J.Biol.Chem., 294, 2019
|
|
2R68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r68 by Molmil](/molmil-images/mine/2r68) | |
7Q3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q3z by Molmil](/molmil-images/mine/7q3z) | DNA/RNA binding protein | Descriptor: | SODIUM ION, Schlafen family member 5, ZINC ION | Authors: | Huber, E, Lammens, K. | Deposit date: | 2021-10-29 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and biochemical characterization of human Schlafen 5. Nucleic Acids Res., 50, 2022
|
|
6EA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ea2 by Molmil](/molmil-images/mine/6ea2) | |
7Q26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q26 by Molmil](/molmil-images/mine/7q26) | Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013 | Descriptor: | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R. | Deposit date: | 2021-10-23 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
|
|
5DQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dqd by Molmil](/molmil-images/mine/5dqd) | Structure of S55-5 Fab in complex with lipid A carbohydrate backbone | Descriptor: | 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, S55-5 Fab (IgG1 kappa) light chain, ... | Authors: | Haji-Ghassemi, O, Evans, S.V. | Deposit date: | 2015-09-14 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Lipid A-antibody structures reveal a widely-utilized pocket specific for negatively charged groups derived from unrelated V-genes J.Biol.Chem., 2015
|
|