4PBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pbz by Molmil](/molmil-images/mine/4pbz) | Structure of the human RbAp48-MTA1(670-695) complex | Descriptor: | Histone-binding protein RBBP4, Metastasis-associated protein MTA1 | Authors: | Murthy, A, Pei, X.Y, Watson, A.A, Silva, A.P.G, Mackay, J.P, Laue, E.D. | Deposit date: | 2014-04-14 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex. J.Biol.Chem., 289, 2014
|
|
4E1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e1d by Molmil](/molmil-images/mine/4e1d) | Structure of a VgrG Vibrio cholerae toxin ACD domain in complex with ADP and Mn++ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Durand, E, Audoly, G, Derrez, E, Spinelli, S, Ortiz-Lombardia, M, Cascales, E, Raoult, D, Cambillau, C. | Deposit date: | 2012-03-06 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure and functional characterization of the Vibrio cholerae toxin
from the VgrG/MARTX family. J.Biol.Chem., 2012
|
|
6VNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vnl by Molmil](/molmil-images/mine/6vnl) | JAK2 JH1 in complex with SG3-179 | Descriptor: | 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
|
|
6VNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vnk by Molmil](/molmil-images/mine/6vnk) | JAK2 JH1 in complex with PN4-073 | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
|
|
2ZNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2znm by Molmil](/molmil-images/mine/2znm) | Oxidoreductase NmDsbA3 from Neisseria meningitidis | Descriptor: | Thiol:disulfide interchange protein DsbA | Authors: | Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J. | Deposit date: | 2008-04-30 | Release date: | 2008-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis J.Biol.Chem., 283, 2008
|
|
2AQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqp by Molmil](/molmil-images/mine/2aqp) | CU/ZN superoxide dismutase from neisseria meningitidis E73A mutant | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, Superoxide dismutase [Cu-Zn], ... | Authors: | DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D. | Deposit date: | 2005-08-18 | Release date: | 2006-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | CU/ZN superoxide dismutase from neisseria meningitidis E73A mutant To be Published
|
|
6VS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vs3 by Molmil](/molmil-images/mine/6vs3) | JAK2 JH1 in complex with BL2-057 | Descriptor: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-02-10 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
|
|
6GKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gks by Molmil](/molmil-images/mine/6gks) | |
8DXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dxs by Molmil](/molmil-images/mine/8dxs) | |
4PCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pcn by Molmil](/molmil-images/mine/4pcn) | Phosphotriesterase variant R22 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R22, ZINC ION | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | Deposit date: | 2014-04-16 | Release date: | 2015-05-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat. Chem. Biol., 12, 2016
|
|
6G9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g9g by Molmil](/molmil-images/mine/6g9g) | |
8DW9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dw9 by Molmil](/molmil-images/mine/8dw9) | |
6VSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vsn by Molmil](/molmil-images/mine/6vsn) | JAK2 JH1 in complex with BL2-110 | Descriptor: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-02-11 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
|
|
6GU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gu7 by Molmil](/molmil-images/mine/6gu7) | CDK1/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 (2.75 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
|
|
6G7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g7h by Molmil](/molmil-images/mine/6g7h) | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: resting state structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | Deposit date: | 2018-04-06 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science, 361, 2018
|
|
5TF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tf6 by Molmil](/molmil-images/mine/5tf6) | Structure and conformational plasticity of the U6 small nuclear ribonucleoprotein core | Descriptor: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | Authors: | Montemayor, E.J, Brow, D.A, Butcher, S.E. | Deposit date: | 2016-09-24 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and conformational plasticity of the U6 small nuclear ribonucleoprotein core. Acta Crystallogr D Struct Biol, 73, 2017
|
|
6G8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8c by Molmil](/molmil-images/mine/6g8c) | |
6G8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g8e by Molmil](/molmil-images/mine/6g8e) | |
6PYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pyh by Molmil](/molmil-images/mine/6pyh) | Cryo-EM structure of full-length IGF1R-IGF1 complex. Only the extracellular region of the complex is resolved. | Descriptor: | Insulin-like growth factor 1 receptor, Insulin-like growth factor I | Authors: | Li, J, Choi, E, Yu, H.T, Bai, X.C. | Deposit date: | 2019-07-29 | Release date: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis of the activation of type 1 insulin-like growth factor receptor. Nat Commun, 10, 2019
|
|
8E5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e5w by Molmil](/molmil-images/mine/8e5w) | Crystal structure of dehydroalanine Hip1 | Descriptor: | DI(HYDROXYETHYL)ETHER, PALMITIC ACID, Protease, ... | Authors: | Goldfarb, N.E, Brooks, C.L, Ostrov, D.A. | Deposit date: | 2022-08-22 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1). Biochem.Biophys.Res.Commun., 630, 2022
|
|
3ZD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zd2 by Molmil](/molmil-images/mine/3zd2) | THE STRUCTURE OF THE TWO N-TERMINAL DOMAINS OF COMPLEMENT FACTOR H RELATED PROTEIN 1 SHOWS FORMATION OF A NOVEL DIMERISATION INTERFACE | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H-RELATED PROTEIN 1 | Authors: | Caesar, J.J.E, Goicoechea de Jorge, E, Pickering, M.C, Lea, S.M. | Deposit date: | 2012-11-23 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Dimerization of Complement Factor H-Related Proteins Modulates Complement Activation in Vivo. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
8EBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ebo by Molmil](/molmil-images/mine/8ebo) | Homopurine parallel G-quadruplex from human chromosome 7 stabilized by K+ ions | Descriptor: | COBALT (III) ION, DNA (5'-D(*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*AP*AP*AP*GP*GP*GP*GP*A)-3'), N-METHYLMESOPORPHYRIN, ... | Authors: | Chen, E.V, Yatsunyk, L.A. | Deposit date: | 2022-08-31 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Homopurine guanine-rich sequences in complex with N-methyl mesoporphyrin IX form parallel G-quadruplex dimers and display a unique symmetry tetrad. Bioorg.Med.Chem., 77, 2022
|
|
7LU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lu5 by Molmil](/molmil-images/mine/7lu5) | SAMHD1(113-626) H206R D207N R366H | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | Authors: | Temple, J.T, Bowen, N.E. | Deposit date: | 2021-02-20 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins. J.Biol.Chem., 297, 2021
|
|
3ZYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zyx by Molmil](/molmil-images/mine/3zyx) | Crystal structure of human monoamine oxidase B in complex with methylene blue and bearing the double mutation I199A-Y326A | Descriptor: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Milczek, E.M, Binda, C, Rovida, S, Mattevi, A, Edmondson, D.E. | Deposit date: | 2011-08-29 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The 'Gating' Residues Ile199 and Tyr326 in Human Monoamine Oxidase B Function in Substrate and Inhibitor Recognition. FEBS J., 278, 2011
|
|
7LTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ltw by Molmil](/molmil-images/mine/7ltw) | Crystal structure of the mouse Kirrel2 D1 homodimer | Descriptor: | Kin of IRRE-like protein 2, SODIUM ION | Authors: | Roman, C.A, Pak, J.S, Wang, J, Ozkan, E. | Deposit date: | 2021-02-20 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular and structural basis of olfactory sensory neuron axon coalescence by Kirrel receptors. Cell Rep, 37, 2021
|
|