8CI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ci9 by Molmil](/molmil-images/mine/8ci9) | Deoxypodophyllotoxin Synthase in complex with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxypodophyllotoxin synthase, FE (III) ION | Authors: | Ingold, Z, Lichman, B, Grogan, G. | Deposit date: | 2023-02-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure and mutation of deoxypodophyllotoxin synthase (DPS) from Podophyllum hexandrum Front Catal, 3, 2023
|
|
8C2G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c2g by Molmil](/molmil-images/mine/8c2g) | |
8CJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cjg by Molmil](/molmil-images/mine/8cjg) | AetF, a single-component flavin-dependent tryptophan halogenase, in complex with 7-bromo-L-tryptophan | Descriptor: | 1,2-ETHANEDIOL, 7-bromo-L-tryptophan, AetF, ... | Authors: | Gafe, S, Niemann, H.H. | Deposit date: | 2023-02-13 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of regioselective tryptophan dibromination by the single-component flavin-dependent halogenase AetF. Acta Crystallogr D Struct Biol, 79, 2023
|
|
4W7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w7h by Molmil](/molmil-images/mine/4w7h) | Crystal Structure of DEH Reductase A1-R Mutant | Descriptor: | Carbonyl reductase | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-22 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
|
|
8CJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cje by Molmil](/molmil-images/mine/8cje) | |
8CR7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cr7 by Molmil](/molmil-images/mine/8cr7) | |
5XSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xsu by Molmil](/molmil-images/mine/5xsu) | novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
|
|
5X4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x4x by Molmil](/molmil-images/mine/5x4x) | Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
|
|
8CIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cie by Molmil](/molmil-images/mine/8cie) | Crystal structure of the human CDKL5 kinase domain with compound YL-354 | Descriptor: | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION | Authors: | Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N. | Deposit date: | 2023-02-09 | Release date: | 2023-06-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective. Acs Chem Neurosci, 14, 2023
|
|
4W8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8d by Molmil](/molmil-images/mine/4w8d) | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589). | Descriptor: | 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-24 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
|
|
5XTG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xtg by Molmil](/molmil-images/mine/5xtg) | Crystal structure of the cis-dihydrodiol naphthalene dehydrogenase NahB from Pseudomonas sp. MC1 in the presence of NAD+ and 2,3-dihydroxybiphenyl | Descriptor: | 2,3-dihydroxy-2,3-dihydrophenylpropionate dehydrogenase, BIPHENYL-2,3-DIOL, CITRIC ACID, ... | Authors: | Park, A.K, Kim, H.-W. | Deposit date: | 2017-06-19 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.318 Å) | Cite: | Crystal structure of cis-dihydrodiol naphthalene dehydrogenase (NahB) from Pseudomonas sp. MC1: Insights into the early binding process of the substrate Biochem. Biophys. Res. Commun., 491, 2017
|
|
5X56
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x56 by Molmil](/molmil-images/mine/5x56) | Crystal structure of PSB27 from Arabidopsis thaliana | Descriptor: | Photosystem II repair protein PSB27-H1, chloroplastic | Authors: | Liu, J, Cheng, X. | Deposit date: | 2017-02-15 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of Psb27 from Arabidopsis thaliana determined at a resolution of 1.85 angstrom. Photosyn. Res., 136, 2018
|
|
4W4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4h by Molmil](/molmil-images/mine/4w4h) | Escherichia coli tryptophanase in holo form | Descriptor: | Tryptophanase | Authors: | Goldgur, Y. | Deposit date: | 2014-08-14 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structures of Escherichia coli tryptophanase in holo and `semi-holo' forms. Acta Crystallogr.,Sect.F, 71, 2015
|
|
5XTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xtn by Molmil](/molmil-images/mine/5xtn) | |
4W8J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8j by Molmil](/molmil-images/mine/4w8j) | Structure of the full-length insecticidal protein Cry1Ac reveals intriguing details of toxin packaging into in vivo formed crystals | Descriptor: | CALCIUM ION, POTASSIUM ION, Pesticidal crystal protein cry1Ac | Authors: | Evdokimov, A.G, Moshiri, F, Sturman, E.J, Rydel, T.J, Zheng, M, Seale, J.W, Franklin, S. | Deposit date: | 2014-08-25 | Release date: | 2014-09-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structure of the full-length insecticidal protein Cry1Ac reveals intriguing details of toxin packaging into in vivo formed crystals. Protein Sci., 23, 2014
|
|
8CR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cr3 by Molmil](/molmil-images/mine/8cr3) | |
4W8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8w by Molmil](/molmil-images/mine/4w8w) | |
1ZWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zwp by Molmil](/molmil-images/mine/1zwp) | The atomic resolution Crystal structure of the Phospholipase A2 (PLA2) complex with Nimesulide reveals its weaker binding to PLA2 | Descriptor: | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, METHANOL, Phospholipase A2 VRV-PL-VIIIa, ... | Authors: | Prem Kumar, R, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2005-06-04 | Release date: | 2005-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The atomic resolution Crystal structure of the Phospholipase A2 (PLA2) complex with Nimesulide reveals its weaker binding to PLA2 To be Published
|
|
4W4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4k by Molmil](/molmil-images/mine/4w4k) | |
6PNH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pnh by Molmil](/molmil-images/mine/6pnh) | |
8H01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h01 by Molmil](/molmil-images/mine/8h01) | SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in class 2 conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2022-09-27 | Release date: | 2023-04-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023
|
|
8CR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cr0 by Molmil](/molmil-images/mine/8cr0) | Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor | Descriptor: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2023-03-07 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography. J.Med.Chem., 66, 2023
|
|
4W4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4u by Molmil](/molmil-images/mine/4w4u) | |
5X69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x69 by Molmil](/molmil-images/mine/5x69) | Human thymidylate synthase with a fragment bound in the dimer interface | Descriptor: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
|
|
5XUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xup by Molmil](/molmil-images/mine/5xup) | Crystal structure of TRF1 and TERB1 | Descriptor: | Telomere repeats-binding bouquet formation protein 1, Telomeric repeat-binding factor 1 | Authors: | Long, J, Huang, C, Wu, J, Lei, M. | Deposit date: | 2017-06-24 | Release date: | 2017-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Telomeric TERB1-TRF1 interaction is crucial for male meiosis. Nat. Struct. Mol. Biol., 24, 2017
|
|