4L5B
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![BU of 4l5b by Molmil](/molmil-images/mine/4l5b) | Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor | Descriptor: | 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-06-10 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. J.Med.Chem., 56, 2013
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6FQO
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![BU of 6fqo by Molmil](/molmil-images/mine/6fqo) | Crystal structure of CREBBP bromodomain complexd with DT29 | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-14 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6FQU
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![BU of 6fqu by Molmil](/molmil-images/mine/6fqu) | Crystal structure of CREBBP bromodomain complexd with DR09 | Descriptor: | 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone, CREB-binding protein | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2018-02-14 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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6FTF
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![BU of 6ftf by Molmil](/molmil-images/mine/6ftf) | Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi at 1.09 A resolution | Descriptor: | 1,2-ETHANEDIOL, 7-cyano-7-deazainosine, Protein kinase A regulatory subunit, ... | Authors: | Volpato Santos, Y, Lorentzen, E, Basquin, J, Boshart, M. | Deposit date: | 2018-02-21 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09151936 Å) | Cite: | Nucleoside analogue activators of cyclic AMP-independent protein kinase A of Trypanosoma. Nat Commun, 10, 2019
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1CV2
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![BU of 1cv2 by Molmil](/molmil-images/mine/1cv2) | Hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 AT 1.6 A resolution | Descriptor: | HALOALKANE DEHALOGENASE | Authors: | Marek, J, Vevodova, J, Damborsky, J, Smatanova, I, Svensson, L.A, Newman, J, Nagata, Y, Takagi, M. | Deposit date: | 1999-08-22 | Release date: | 2000-09-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of the haloalkane dehalogenase from Sphingomonas paucimobilis UT26. Biochemistry, 39, 2000
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4E3A
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![BU of 4e3a by Molmil](/molmil-images/mine/4e3a) | CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 | Descriptor: | ADENOSINE, sugar kinase protein | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-03-09 | Release date: | 2012-03-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 To be Published
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6GAX
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![BU of 6gax by Molmil](/molmil-images/mine/6gax) | |
1RC5
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![BU of 1rc5 by Molmil](/molmil-images/mine/1rc5) | |
1A6N
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![BU of 1a6n by Molmil](/molmil-images/mine/1a6n) | DEOXY-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | Deposit date: | 1998-02-26 | Release date: | 1999-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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6FZH
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![BU of 6fzh by Molmil](/molmil-images/mine/6fzh) | Crystal structure of a streptococcal dehydrogenase at 1.5 Angstroem resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ... | Authors: | Gomez, S, Querol-Garcia, J, Sanchez-Barron, G, Subias, M, Gonzalez-Alsina, A, Melchor-Tafur, C, Franco-Hidalgo, V, Alberti, S, Rodriguez de Cordoba, S, Fernandez, F.J, Vega, M.C. | Deposit date: | 2018-03-14 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Antimicrobials Anacardic Acid and Curcumin Are Not-Competitive Inhibitors of Gram-Positive Bacterial Pathogenic Glyceraldehyde-3-Phosphate Dehydrogenase by a Mechanism Unrelated to Human C5a Anaphylatoxin Binding. Front Microbiol, 10, 2019
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3B6V
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![BU of 3b6v by Molmil](/molmil-images/mine/3b6v) | Crystal structure of the motor domain of human kinesin family member 3C in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF3C, MAGNESIUM ION, ... | Authors: | Zhu, H, Tempel, W, Shen, Y, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-29 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Motor domain of human kinesin family member 3C in complex with ADP. To be Published
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3B84
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![BU of 3b84 by Molmil](/molmil-images/mine/3b84) | Crystal structure of the human BTB domain of the Krueppel related Zinc Finger Protein 3 (HKR3) | Descriptor: | 1,2-ETHANEDIOL, UNKNOWN ATOM OR ION, Zinc finger and BTB domain-containing protein 48 | Authors: | Filippakopoulos, P, Bullock, A, Cooper, C, Keates, T, Salah, E, Pilka, E, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of the Human BTB domain of the Krueppel related Zinc Finger Protein 3 (HKR3). To be Published
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1R9Q
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![BU of 1r9q by Molmil](/molmil-images/mine/1r9q) | structure analysis of ProX in complex with proline betaine | Descriptor: | 1,1-DIMETHYL-PROLINIUM, Glycine betaine-binding periplasmic protein, UNKNOWN ATOM OR ION | Authors: | Schiefner, A, Breed, J, Bosser, L, Kneip, S, Gade, J, Holtmann, G, Diederichs, K, Welte, W, Bremer, E. | Deposit date: | 2003-10-30 | Release date: | 2004-02-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cation-pi Interactions as Determinants for Binding of the Compatible Solutes Glycine Betaine and Proline Betaine by the Periplasmic Ligand-binding Protein ProX from Escherichia coli J.BIOL.CHEM., 279, 2004
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7L15
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![BU of 7l15 by Molmil](/molmil-images/mine/7l15) | Marsupial T cell receptor Spl_118 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, T cell receptor gamma chain, ... | Authors: | Wegrecki, M, Kannan Sivaraman, K, Praveena, T, Le Nours, J, Rossjohn, J. | Deposit date: | 2020-12-14 | Release date: | 2021-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage. Science, 371, 2021
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4GP3
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![BU of 4gp3 by Molmil](/molmil-images/mine/4gp3) | The crystal structure of human fascin 1 K358A mutant | Descriptor: | BROMIDE ION, CHLORIDE ION, Fascin, ... | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | Deposit date: | 2012-08-20 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Molecular mechanism of fascin function in filopodial formation. J.Biol.Chem., 288, 2013
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3SRX
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![BU of 3srx by Molmil](/molmil-images/mine/3srx) | New Delhi Metallo-beta-Lactamase-1 Complexed with Cd | Descriptor: | Beta-lactamase NDM-1, CADMIUM ION, CHLORIDE ION, ... | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2011-07-07 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | New Delhi Metallo-beta-Lactamase-1 Complexed with Cd To be Published
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7KP1
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![BU of 7kp1 by Molmil](/molmil-images/mine/7kp1) | CD1a-42:2 SM binary complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, T-cell surface glycoprotein CD1a, ... | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | Deposit date: | 2020-11-10 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response. J.Exp.Med., 218, 2021
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5G4Z
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![BU of 5g4z by Molmil](/molmil-images/mine/5g4z) | Structural basis for carboxylic acid recognition by a Cache chemosensory domain. | Descriptor: | Methyl-accepting chemotaxis sensory transducer with Cache sensor, TRIETHYLENE GLYCOL, UNKNOWN LIGAND | Authors: | Brewster, J, McKellar, J.L.O, Newman, J, Peat, T.S, Gerth, M.L. | Deposit date: | 2016-05-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for ligand recognition by a Cache chemosensory domain that mediates carboxylate sensing in Pseudomonas syringae. Sci Rep, 6, 2016
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3B3N
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![BU of 3b3n by Molmil](/molmil-images/mine/3b3n) | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2007-10-22 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors. J.Am.Chem.Soc., 130, 2008
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7KP0
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![BU of 7kp0 by Molmil](/molmil-images/mine/7kp0) | CD1a-42:1 SM binary complex | Descriptor: | (4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | Deposit date: | 2020-11-10 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response. J.Exp.Med., 218, 2021
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1BVI
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![BU of 1bvi by Molmil](/molmil-images/mine/1bvi) | RIBONUCLEASE T1 (WILDTYPE) COMPLEXED WITH 2'GMP | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1) | Authors: | Langhorst, U, Loris, R, Denisov, V.P, Doumen, J, Roose, P, Maes, D, Halle, B, Steyaert, J. | Deposit date: | 1998-09-15 | Release date: | 1998-09-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dissection of the structural and functional role of a conserved hydration site in RNase T1. Protein Sci., 8, 1999
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7KOZ
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![BU of 7koz by Molmil](/molmil-images/mine/7koz) | CD1a-36:2 SM binary complex | Descriptor: | (4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | Deposit date: | 2020-11-10 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response. J.Exp.Med., 218, 2021
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4H5S
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![BU of 4h5s by Molmil](/molmil-images/mine/4h5s) | Complex structure of Necl-2 and CRTAM | Descriptor: | Cell adhesion molecule 1, Cytotoxic and regulatory T-cell molecule | Authors: | Zhang, S, Lu, G, Qi, J, Li, Y, Zhang, Z, Zhang, B, Yan, J, Gao, G.F. | Deposit date: | 2012-09-18 | Release date: | 2013-08-07 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Competition of cell adhesion and immune recognition: insights into the interaction between CRTAM and nectin-like 2. Structure, 21, 2013
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4GP0
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![BU of 4gp0 by Molmil](/molmil-images/mine/4gp0) | The crystal structure of human fascin 1 R149A K150A R151A mutant | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ... | Authors: | Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y. | Deposit date: | 2012-08-20 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of fascin function in filopodial formation. J.Biol.Chem., 288, 2013
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5TT7
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![BU of 5tt7 by Molmil](/molmil-images/mine/5tt7) | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, Tyrosine-protein kinase SYK | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | Deposit date: | 2016-11-01 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). Bioorg. Med. Chem. Lett., 26, 2016
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