1F13
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1FEL
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![BU of 1fel by Molmil](/molmil-images/mine/1fel) | CRYSTALLOGRAPHIC STUDIES ON COMPLEXES BETWEEN RETINOIDS AND PLASMA RETINOL-BINDING PROTEIN | Descriptor: | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE, RETINOL BINDING PROTEIN | Authors: | Zanotti, G, Marcello, M, Malpeli, G, Sartori, G, Berni, R. | Deposit date: | 1994-08-29 | Release date: | 1994-11-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic studies on complexes between retinoids and plasma retinol-binding protein. J.Biol.Chem., 269, 1994
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5CKN
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![BU of 5ckn by Molmil](/molmil-images/mine/5ckn) | The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+ | Descriptor: | CALCIUM ION, Mannan-binding lectin serine peptidase 2 | Authors: | Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J. | Deposit date: | 2015-07-15 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation. Structure, 25, 2017
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8R7A
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1CCN
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![BU of 1ccn by Molmil](/molmil-images/mine/1ccn) | DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL | Descriptor: | CRAMBIN | Authors: | Bonvin, A.M.J.J, Rullmann, J.A.C, Lamerichs, R.M.J.N, Boelens, R, Kaptein, R. | Deposit date: | 1993-04-14 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Direct NOE refinement of biomolecular structures using 2D NMR data J.Biomol.NMR, 1, 1991
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1CCM
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![BU of 1ccm by Molmil](/molmil-images/mine/1ccm) | DIRECT NOE REFINEMENT OF CRAMBIN FROM 2D NMR DATA USING A SLOW-COOLING ANNEALING PROTOCOL | Descriptor: | CRAMBIN | Authors: | Bonvin, A.M.J.J, Rullmann, J.A.C, Lamerichs, R.M.J.N, Boelens, R, Kaptein, R. | Deposit date: | 1993-04-14 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | "Ensemble" iterative relaxation matrix approach: a new NMR refinement protocol applied to the solution structure of crambin. Proteins, 15, 1993
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5CQF
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![BU of 5cqf by Molmil](/molmil-images/mine/5cqf) | Crystal structure of L-lysine 6-monooxygenase from Pseudomonas syringae | Descriptor: | IODIDE ION, L-lysine 6-monooxygenase | Authors: | Michalska, K, Bigelow, L, Jedrzejczak, R, Weerth, R.S, Cao, H, Yennamalli, R, Phillips Jr, G.N, Thomas, M.G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-07-21 | Release date: | 2015-09-30 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of L-lysine 6-monooxygenase from Pseudomonas syringae To Be Published
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5CR6
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![BU of 5cr6 by Molmil](/molmil-images/mine/5cr6) | Structure of pneumolysin at 1.98 A resolution | Descriptor: | Pneumolysin | Authors: | Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R. | Deposit date: | 2015-07-22 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex. Sci Rep, 5, 2015
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5CR8
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![BU of 5cr8 by Molmil](/molmil-images/mine/5cr8) | Structure of the membrane-binding domain of pneumolysin | Descriptor: | Pneumolysin | Authors: | Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R. | Deposit date: | 2015-07-22 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex. Sci Rep, 5, 2015
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4WIO
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![BU of 4wio by Molmil](/molmil-images/mine/4wio) | Crystal structure of the C89A GMP synthetase inactive mutant from Plasmodium falciparum in complex with glutamine | Descriptor: | GLUTAMINE, GMP synthetase | Authors: | Ballut, L, Violot, S, Haser, R, Aghajari, N. | Deposit date: | 2014-09-26 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Active site coupling in Plasmodium falciparum GMP synthetase is triggered by domain rotation. Nat Commun, 6, 2015
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8CWP
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![BU of 8cwp by Molmil](/molmil-images/mine/8cwp) | X-ray crystal structure of NTHi Protein D bound to a putative glycerol moiety | Descriptor: | GLYCEROL, Glycerophosphoryl diester phosphodiesterase, SODIUM ION | Authors: | Jones, S.P, Cook, K.H, Holmquist, M.L, Almekinder, L, DeLaney, A, Labbe, N, Perdue, J, Jackson, N, Charles, R, Pichichero, M, Kaur, R, Michel, L, Gleghorn, M.L. | Deposit date: | 2022-05-19 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Vaccine target and carrier molecule nontypeable Haemophilus influenzae protein D dimerizes like the close Escherichia coli GlpQ homolog but unlike other known homolog dimers. Proteins, 91, 2023
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5CQW
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![BU of 5cqw by Molmil](/molmil-images/mine/5cqw) | Tetragonal Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry | Descriptor: | 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. | Deposit date: | 2015-07-22 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors Rsc Adv, 5, 2015
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5DD0
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![BU of 5dd0 by Molmil](/molmil-images/mine/5dd0) | Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques | Descriptor: | ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB HEAVY LIGHT, oligo peptide | Authors: | Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F. | Deposit date: | 2015-08-24 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.488 Å) | Cite: | Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages. Sci Transl Med, 8, 2016
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5Y8X
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![BU of 5y8x by Molmil](/molmil-images/mine/5y8x) | Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Kumari, S, Goel, M, Pal, R, Gupta, R. | Deposit date: | 2017-08-21 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine To Be Published
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8P0S
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![BU of 8p0s by Molmil](/molmil-images/mine/8p0s) | Crystal structure HR1 domain of Rho-associated coiled-coil protein kinases (ROCK-HR1) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Rho-associated protein kinase 1 | Authors: | Dubey, B.N, Dvorsky, R, Gremer, L, Vetter, I.R, Schmitt, L, Groth, G, Ahmadian, M.R. | Deposit date: | 2023-05-10 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional insights into the p160 Rho-associated coiled-coil-containing protein kinase To Be Published
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5A3B
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![BU of 5a3b by Molmil](/molmil-images/mine/5a3b) | Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, ALANINE, ... | Authors: | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | Deposit date: | 2015-05-28 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens. Mol.Cell, 59, 2015
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1W31
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![BU of 1w31 by Molmil](/molmil-images/mine/1w31) | YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 5-HYDROXYLAEVULINIC ACID COMPLEX | Descriptor: | 5-HYDROXYLAEVULINIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, ZINC ION | Authors: | Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Stauffer, F, Beaven, G.D.E, Gill, R, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R. | Deposit date: | 2004-07-11 | Release date: | 2005-08-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with the Inhibitor 5-Hydroxylaevulinic Acid Acta Crystallogr.,Sect.D, 61, 2005
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1FYF
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![BU of 1fyf by Molmil](/molmil-images/mine/1fyf) | CRYSTAL STRUCTURE OF A TRUNCATED FORM OF THREONYL-TRNA SYNTHETASE COMPLEXED WITH A SERYL ADENYLATE ANALOG | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, THREONYL-TRNA SYNTHETASE, ZINC ION | Authors: | Sankaranarayanan, R, Dock-Bregeon, A.C, Moras, D. | Deposit date: | 2000-09-29 | Release date: | 2000-12-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Transfer RNA-mediated editing in threonyl-tRNA synthetase. The class II solution to the double discrimination problem. Cell(Cambridge,Mass.), 103, 2000
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5AEK
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![BU of 5aek by Molmil](/molmil-images/mine/5aek) | Crystal structure of the human SENP2 C548S in complex with the human SUMO1 K48M F66W | Descriptor: | SENTRIN-SPECIFIC PROTEASE 2, SMALL UBIQUITIN-RELATED MODIFIER 1 | Authors: | Gallego, P, Grana-Montes, R, Espargaro, A, Castillo, V, Torrent, J, Lange, R, Papaleo, E, Lindorff-Larsend, K, Ventura, S, Reverter, D. | Deposit date: | 2014-12-23 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Stepping Back and Forward on Sumo Folding Evolution To be Published
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8R7G
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![BU of 8r7g by Molmil](/molmil-images/mine/8r7g) | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | Descriptor: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | Authors: | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | Deposit date: | 2023-11-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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8R1V
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![BU of 8r1v by Molmil](/molmil-images/mine/8r1v) | Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Yadrykhinsky, V, Brenk, R. | Deposit date: | 2023-11-02 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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5A3A
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![BU of 5a3a by Molmil](/molmil-images/mine/5a3a) | Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form) | Descriptor: | 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ... | Authors: | Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I. | Deposit date: | 2015-05-28 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens. Mol.Cell, 59, 2015
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8R0I
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![BU of 8r0i by Molmil](/molmil-images/mine/8r0i) | Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... | Authors: | Yadrykhinsky, V, Brenk, R. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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5AD2
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![BU of 5ad2 by Molmil](/molmil-images/mine/5ad2) | Bivalent binding to BET bromodomains | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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1G94
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![BU of 1g94 by Molmil](/molmil-images/mine/1g94) | CRYSTAL STRUCTURE ANALYSIS OF THE TERNARY COMPLEX BETWEEN PSYCHROPHILIC ALPHA AMYLASE FROM PSEUDOALTEROMONAS HALOPLANCTIS IN COMPLEX WITH A HEPTA-SACCHARIDE AND A TRIS MOLECULE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Aghajari, N, Roth, M, Haser, R. | Deposit date: | 2000-11-22 | Release date: | 2001-12-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystallographic evidence of a transglycosylation reaction: ternary complexes of a psychrophilic alpha-amylase. Biochemistry, 41, 2002
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