5HZI
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![BU of 5hzi by Molmil](/molmil-images/mine/5hzi) | Crystal structure of photoinhibitable Intersectin1 containing C450M mutant LOV2 domain | Descriptor: | FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1 | Authors: | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | Deposit date: | 2016-02-02 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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1N39
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![BU of 1n39 by Molmil](/molmil-images/mine/1n39) | Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase | Descriptor: | CALCIUM ION, DNA complement strand, DNA inhibitor strand, ... | Authors: | Norman, D.P, Chung, S.J, Verdine, G.L. | Deposit date: | 2002-10-25 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase Biochemistry, 42, 2003
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3MTL
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![BU of 3mtl by Molmil](/molmil-images/mine/3mtl) | Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804 | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cell division protein kinase 16 | Authors: | Krojer, T, Sharpe, T.D, Roos, A, Savitsky, P, Amos, A, Ayinampudi, V, Berridge, G, Fedorov, O, Keates, T, Phillips, C, Burgess-Brown, N, Zhang, Y, Pike, A.C.W, Muniz, J, Vollmar, M, Thangaratnarajah, C, Rellos, P, Ugochukwu, E, Filippakopoulos, P, Yue, W, Das, S, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16. Biochem.J., 474, 2017
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3E67
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![BU of 3e67 by Molmil](/molmil-images/mine/3e67) | Murine inos dimer with inhibitor 4-MAP bound | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-14 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E6T
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![BU of 3e6t by Molmil](/molmil-images/mine/3e6t) | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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4KMK
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![BU of 4kmk by Molmil](/molmil-images/mine/4kmk) | Crystal structure of Ribosome Inactivating protein from Momordica balsamina at 1.65 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, rRNA N-glycosidase | Authors: | Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-08 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of Ribosome Inactivating protein from Momordica balsamina at 1.65 A resolution To be Published
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5HZJ
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![BU of 5hzj by Molmil](/molmil-images/mine/5hzj) | Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain | Descriptor: | FLAVIN MONONUCLEOTIDE, Intersectin-1,NPH1-1,Intersectin-1 | Authors: | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | Deposit date: | 2016-02-02 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering extrinsic disorder to control protein activity in living cells. Science, 354, 2016
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2RC0
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![BU of 2rc0 by Molmil](/molmil-images/mine/2rc0) | Cytochrome C Peroxidase W191G in complex with 2-imino-4-methylpiperdine | Descriptor: | (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine, Cytochrome C Peroxidase, PHOSPHATE ION, ... | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | Deposit date: | 2007-09-19 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
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4OE1
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![BU of 4oe1 by Molmil](/molmil-images/mine/4oe1) | Crystal structure of the pentatricopeptide repeat protein PPR10 (C256S/C430S/C449S) in complex with an 18-nt PSAJ rna element | Descriptor: | Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA | Authors: | Li, Q, Yan, C, Wu, J, Yin, P, Yan, N. | Deposit date: | 2014-01-11 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Examination of the dimerization states of the single-stranded RNA recognition protein pentatricopeptide repeat 10 (PPR10). J.Biol.Chem., 289, 2014
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8F70
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![BU of 8f70 by Molmil](/molmil-images/mine/8f70) | |
1AG3
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![BU of 1ag3 by Molmil](/molmil-images/mine/1ag3) | |
2MCZ
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![BU of 2mcz by Molmil](/molmil-images/mine/2mcz) | CR1 Sushi domains 1 and 2 | Descriptor: | Complement receptor type 1 | Authors: | Park, H.J, Guariento, M.J, Maciejewski, M, Hauart, R, Tham, W, Cowman, A.F, Schmidt, C.Q, Martens, H, Liszewski, K.M, Hourcade, D, Barlow, P.N, Atkinson, J.P. | Deposit date: | 2013-08-27 | Release date: | 2013-11-13 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor. J.Biol.Chem., 289, 2014
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2RBW
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![BU of 2rbw by Molmil](/molmil-images/mine/2rbw) | Cytochrome C Peroxidase W191G in complex with 1,2-dimethyl-1h-pyridin-5-amine | Descriptor: | 5-amino-1,2-dimethylpyridinium, Cytochrome C Peroxidase, PHOSPHATE ION, ... | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | Deposit date: | 2007-09-19 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing. J.Mol.Biol., 377, 2008
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8F5N
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![BU of 8f5n by Molmil](/molmil-images/mine/8f5n) | Identification of an Immunodominant region on a Group A Streptococcus T-antigen Reveals Temperature-Dependent Motion in Pili | Descriptor: | CALCIUM ION, Mouse-Human Fab heavy chain, Mouse-Human Fab light chain, ... | Authors: | Raynes, J.M, Young, P.G, Moreland, N.J. | Deposit date: | 2022-11-14 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of an immunodominant region on a group A Streptococcus T-antigen reveals temperature-dependent motion in pili. Virulence, 14, 2023
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8F3A
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![BU of 8f3a by Molmil](/molmil-images/mine/8f3a) | HIV-1 gp41 coiled-coil pocket IQN17 | Descriptor: | ACETIC ACID, CHLORIDE ION, IQN17 | Authors: | Bruun, T.U.J, Tang, S, Fernandez, D, Kim, P.S. | Deposit date: | 2022-11-09 | Release date: | 2023-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-guided stabilization improves the ability of the HIV-1 gp41 hydrophobic pocket to elicit neutralizing antibodies. J.Biol.Chem., 299, 2023
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1WVD
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![BU of 1wvd by Molmil](/molmil-images/mine/1wvd) | HIV-1 Dis(Mal) Duplex CoCl2-Soaked | Descriptor: | 5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', COBALT (II) ION | Authors: | Ennifar, E, Walter, P, Dumas, P. | Deposit date: | 2004-12-15 | Release date: | 2004-12-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | A crystallographic study of the binding of 13 metal ions to two related RNA duplexes Nucleic Acids Res., 31, 2003
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1SHX
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![BU of 1shx by Molmil](/molmil-images/mine/1shx) | Ephrin A5 ligand structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin-A5 | Authors: | Himanen, J.P, Barton, W.A, Nikolov, D.B, Jeffrey, P.D. | Deposit date: | 2004-02-26 | Release date: | 2005-04-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Three distinct molecular surfaces in ephrin-A5 are essential for a functional interaction with EphA3. J.Biol.Chem., 280, 2005
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4KL4
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![BU of 4kl4 by Molmil](/molmil-images/mine/4kl4) | Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with Polyethylene glycol at 1.90 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Pandey, S, Tyagi, T.K, Singh, A, Bhushan, A, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with Polyethylene glycol at 1.90 Angstrom resolution To be Published
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4OM0
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![BU of 4om0 by Molmil](/molmil-images/mine/4om0) | |
4G2Z
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![BU of 4g2z by Molmil](/molmil-images/mine/4g2z) | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Mefenamic acid at 1.90 A Resolution | Descriptor: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-07-13 | Release date: | 2012-08-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Mefenamic acid at 1.90 A Resolution To be Published
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6DZD
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![BU of 6dzd by Molmil](/molmil-images/mine/6dzd) | Crystal structure of Bacillus licheniformis hypothetical protein YfiH | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | Authors: | Almeida, L.R, Grejo, M.P, Mulinari, E.J, Santos, J.C, Camargo, S, Bernardes, A, Muniz, J.R.C. | Deposit date: | 2018-07-03 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Crystal structure of Bacillus licheniformis hypothetical protein YfiH To Be Published
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2D45
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![BU of 2d45 by Molmil](/molmil-images/mine/2d45) | Crystal structure of the MecI-mecA repressor-operator complex | Descriptor: | 5'-D(P*TP*AP*CP*TP*AP*CP*AP*TP*AP*TP*GP*TP*AP*GP*TP*A)-3', Methicillin resistance regulatory protein mecI | Authors: | Safo, M.K, Ko, T.-P, Musayev, F.N, Zhao, Q, Wang, A.H.-J, Archer, G.L. | Deposit date: | 2005-10-09 | Release date: | 2005-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of the MecI repressor from Staphylococcus aureus in complex with the cognate DNA operator of mec. Acta Crystallogr.,Sect.F, 62, 2006
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6E0S
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![BU of 6e0s by Molmil](/molmil-images/mine/6e0s) | Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library | Descriptor: | GLYCEROL, MEM-A1, PHOSPHATE ION, ... | Authors: | Stogios, P.J, Skarina, T, Lau, C, Topp, E, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-07-06 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of MEM-A1, a subclass B3 metallo-beta-lactamase isolated from a soil metagenome library To Be Published
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7D59
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![BU of 7d59 by Molmil](/molmil-images/mine/7d59) | cryo-EM structure of human RNA polymerase III in apo state | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | Authors: | Wang, Q, Wan, F, Lan, P, Wu, J, Lei, M. | Deposit date: | 2020-09-25 | Release date: | 2021-02-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into transcriptional regulation of human RNA polymerase III. Nat.Struct.Mol.Biol., 28, 2021
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4KQL
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![BU of 4kql by Molmil](/molmil-images/mine/4kql) | Hin GlmU bound to WG578 | Descriptor: | Bifunctional protein GlmU, MAGNESIUM ION, N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide, ... | Authors: | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | Deposit date: | 2013-05-15 | Release date: | 2014-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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