5EV2
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![BU of 5ev2 by Molmil](/molmil-images/mine/5ev2) | Structure II of Intact U2AF65 Recognizing the 3' Splice Site Signal | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DI(HYDROXYETHYL)ETHER, DNA (5'-R(P*UP*U)-D(P*UP*U)-R(P*U)-D(P*UP*(BRU)P*U)-3'), ... | Authors: | Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2015-11-19 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | An extended U2AF(65)-RNA-binding domain recognizes the 3' splice site signal. Nat Commun, 7, 2016
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5EV3
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5EV5
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![BU of 5ev5 by Molmil](/molmil-images/mine/5ev5) | Crystal structure of murine neuroglobin mutant V101F at 150 MPa pressure | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | Deposit date: | 2015-11-19 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography. Sci Rep, 7, 2017
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3EQM
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3ER3
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![BU of 3er3 by Molmil](/molmil-images/mine/3er3) | The active site of aspartic proteinases | Descriptor: | 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN | Authors: | Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Active Site of Aspartic Proteinases FEBS Lett., 174, 1984
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5EV4
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6I5L
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![BU of 6i5l by Molmil](/molmil-images/mine/6i5l) | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h) | Descriptor: | 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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8BWN
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![BU of 8bwn by Molmil](/molmil-images/mine/8bwn) | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV) | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | Deposit date: | 2022-12-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation. Nat Commun, 15, 2024
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8BWL
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![BU of 8bwl by Molmil](/molmil-images/mine/8bwl) | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | Deposit date: | 2022-12-06 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation. Nat Commun, 15, 2024
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3EUX
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![BU of 3eux by Molmil](/molmil-images/mine/3eux) | Crystal Structure of Crosslinked Ribonuclease A | Descriptor: | Ribonuclease pancreatic | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | Deposit date: | 2008-10-12 | Release date: | 2009-06-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method Proteins, 76, 2009
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8BWM
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![BU of 8bwm by Molmil](/molmil-images/mine/8bwm) | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV) | Descriptor: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | Authors: | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | Deposit date: | 2022-12-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of BMP signal control by Twisted gastrulation. Nat Commun, 15, 2024
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3EV4
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![BU of 3ev4 by Molmil](/molmil-images/mine/3ev4) | Crystal Structure of Ribonuclease A in 50% Trifluoroethanol | Descriptor: | Ribonuclease pancreatic, TRIFLUOROETHANOL | Authors: | Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C. | Deposit date: | 2008-10-12 | Release date: | 2009-06-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Multiple solvent crystal structures of ribonuclease A: An assessment of the method Proteins, 76, 2009
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5D48
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![BU of 5d48 by Molmil](/molmil-images/mine/5d48) | Crystal Structure of FABP4 in complex with 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy) phenyl]-1H-indol-1-yl}propanoic acid | Descriptor: | 3-{5-cyclopropyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-(propan-2-yloxy)phenyl]-1H-indol-1-yl}propanoic acid, Fatty acid-binding protein, adipocyte, ... | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | Deposit date: | 2015-08-07 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis Acs Med.Chem.Lett., 7, 2016
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5CSH
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![BU of 5csh by Molmil](/molmil-images/mine/5csh) | Crystal Structure of CK2alpha with Compound 4 bound | Descriptor: | 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-23 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
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3EQC
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5D52
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![BU of 5d52 by Molmil](/molmil-images/mine/5d52) | In meso in situ serial X-ray crystallography structure of insulin at room temperature | Descriptor: | Insulin A chain, Insulin B chain, PHOSPHATE ION | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
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5D54
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![BU of 5d54 by Molmil](/molmil-images/mine/5d54) | In meso X-ray crystallography structure of insulin at 100 K | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ... | Authors: | Huang, C.-Y, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
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6UVY
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![BU of 6uvy by Molmil](/molmil-images/mine/6uvy) | BACE-1 in complex with compound #18 | Descriptor: | (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Hendle, J, Timm, D.E. | Deposit date: | 2019-11-04 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg.Med.Chem., 28, 2020
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5D5R
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![BU of 5d5r by Molmil](/molmil-images/mine/5d5r) | Horse-heart myoglobin - deoxy state | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Barends, T, Schlichting, I. | Deposit date: | 2015-08-11 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5D5E
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![BU of 5d5e by Molmil](/molmil-images/mine/5d5e) | In meso in situ serial X-ray crystallography structure of insulin by sulfur-SAD at 100 K | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ... | Authors: | Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M. | Deposit date: | 2015-08-10 | Release date: | 2016-01-13 | Last modified: | 2016-03-02 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures. Acta Crystallogr D Struct Biol, 72, 2016
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6I2A
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![BU of 6i2a by Molmil](/molmil-images/mine/6i2a) | Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, beta-D-ribopyranose, ... | Authors: | Mueller, J.M, Heine, A, Klebe, G. | Deposit date: | 2018-11-01 | Release date: | 2019-05-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
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3EQF
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5D65
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![BU of 5d65 by Molmil](/molmil-images/mine/5d65) | X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) WITH HEPARIN COMPLEX | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-C motif chemokine 3, CHLORIDE ION, ... | Authors: | Liang, W.G, Hwang, D.Y, Zulueta, M.M, Hung, S.C, Tang, W. | Deposit date: | 2015-08-11 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3. Proc.Natl.Acad.Sci.USA, 113, 2016
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6IAY
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6I3Z
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![BU of 6i3z by Molmil](/molmil-images/mine/6i3z) | Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin in complex with its antigen | Descriptor: | Alpha-1-antitrypsin, Fab 2H2 heavy chain, Fab 2H2 light chain, ... | Authors: | Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Fra, A, Lomas, D.A, Irving, J.A. | Deposit date: | 2018-11-08 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin. JCI Insight, 5, 2020
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