6BJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bjn by Molmil](/molmil-images/mine/6bjn) | |
6ZGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zgg by Molmil](/molmil-images/mine/6zgg) | |
6HQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hql by Molmil](/molmil-images/mine/6hql) | Crystal structure of GcoA F169H bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6HQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hqt by Molmil](/molmil-images/mine/6hqt) | Crystal structure of GcoA F169V bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6ZLH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zlh by Molmil](/molmil-images/mine/6zlh) | the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (trans) | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | Deposit date: | 2020-06-30 | Release date: | 2021-01-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue. J.Am.Chem.Soc., 143, 2021
|
|
6HS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hs6 by Molmil](/molmil-images/mine/6hs6) | C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | Descriptor: | Type VI secretion protein ImpA | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-09-28 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
|
|
7A96
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a96 by Molmil](/molmil-images/mine/7a96) | SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound and 1 RBD Erect in Anticlockwise Direction | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | Deposit date: | 2020-09-01 | Release date: | 2020-09-16 | Last modified: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion. Nature, 588, 2020
|
|
6HQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hqo by Molmil](/molmil-images/mine/6hqo) | Crystal structure of GcoA F169S bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
7A97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a97 by Molmil](/molmil-images/mine/7a97) | SARS-CoV-2 Spike Glycoprotein with 2 ACE2 Bound | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J. | Deposit date: | 2020-09-01 | Release date: | 2020-09-16 | Last modified: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion. Nature, 588, 2020
|
|
7A93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a93 by Molmil](/molmil-images/mine/7a93) | |
4J52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j52 by Molmil](/molmil-images/mine/4j52) | Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | Descriptor: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
|
|
4ZTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ztf by Molmil](/molmil-images/mine/4ztf) | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | Descriptor: | (1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), ... | Authors: | Klein, D.J, Patel, S. | Deposit date: | 2015-05-14 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. J.Med.Chem., 58, 2015
|
|
6ZL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zl4 by Molmil](/molmil-images/mine/6zl4) | the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis) | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | Deposit date: | 2020-06-30 | Release date: | 2021-01-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue. J.Am.Chem.Soc., 143, 2021
|
|
6B89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b89 by Molmil](/molmil-images/mine/6b89) | E. coli LptB in complex with ADP and novobiocin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION, ... | Authors: | May, J.M, Lazarus, M.B, Sherman, D.J, Owens, T.W, Mandler, M.D, Kahne, D.K. | Deposit date: | 2017-10-05 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J. Am. Chem. Soc., 139, 2017
|
|
6I5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i5r by Molmil](/molmil-images/mine/6i5r) | BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose | Descriptor: | Sugar ABC transporter substrate-binding protein, BlMnBP1, ZINC ION, ... | 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 (1.6 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
|
|
6ANW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6anw by Molmil](/molmil-images/mine/6anw) | Crystal structure of anti-CRISPR protein AcrF10 | Descriptor: | anti-CRISPR protein AcrF10 | Authors: | Yang, H, Patel, D.J. | Deposit date: | 2017-08-14 | Release date: | 2017-10-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Cryo-EM Structures Reveal Mechanism and Inhibition of DNA Targeting by a CRISPR-Cas Surveillance Complex. Cell, 171, 2017
|
|
6HJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hjq by Molmil](/molmil-images/mine/6hjq) | |
6HKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hke by Molmil](/molmil-images/mine/6hke) | MatC (Rpa3494) from Rhodopseudomonas palustris with bound malate | Descriptor: | (2S)-2-hydroxybutanedioic acid, D-MALATE, Possible TctC subunit of the Tripartite Tricarboxylate Transport(TTT) Family | Authors: | Rosa, L.T, Dix, S, Rafferty, J.B, Kelly, D.J. | Deposit date: | 2018-09-06 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | A New Mechanism for High-Affinity Uptake of C4-Dicarboxylates in Bacteria Revealed by the Structure of Rhodopseudomonas palustris MatC (RPA3494), a Periplasmic Binding Protein of the Tripartite Tricarboxylate Transporter (TTT) Family. J. Mol. Biol., 431, 2019
|
|
6HQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hqq by Molmil](/molmil-images/mine/6hqq) | Crystal structure of GcoA F169A bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6HBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hbe by Molmil](/molmil-images/mine/6hbe) | |
6GU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu2 by Molmil](/molmil-images/mine/6gu2) | CDK1/CyclinB/Cks2 in complex with Flavopiridol | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
6GUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gub by Molmil](/molmil-images/mine/6gub) | CDK2/CyclinA in complex with Flavopiridol | Descriptor: | 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
1BQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bq3 by Molmil](/molmil-images/mine/1bq3) | |
6GU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu3 by Molmil](/molmil-images/mine/6gu3) | CDK1/CyclinB/Cks2 in complex with AZD5438 | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ... | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
|
|
6G1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g1f by Molmil](/molmil-images/mine/6g1f) | |