7TLC
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6YEL
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![BU of 6yel by Molmil](/molmil-images/mine/6yel) | Stromal interaction molecule 1 coiled-coil 1 fragment | Descriptor: | Stromal interaction molecule 1 | Authors: | Rathner, P, Cerofolini, L, Ravera, E, Bechmann, M, Grabmayr, H, Fahrner, M, Fragai, M, Romanin, C, Luchinat, C, Mueller, N. | Deposit date: | 2020-03-25 | Release date: | 2020-09-02 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation. Nat.Chem.Biol., 17, 2021
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5AAG
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![BU of 5aag by Molmil](/molmil-images/mine/5aag) | Aurora A kinase bound to an imidazopyridine inhibitor (14b) | Descriptor: | AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone | Authors: | McIntyre, P.J, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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5AK7
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![BU of 5ak7 by Molmil](/molmil-images/mine/5ak7) | Structure of wt Porphyromonas gingivalis peptidylarginine deiminase | Descriptor: | 1,2-ETHANEDIOL, ALANINE, ARGININE, ... | Authors: | Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W. | Deposit date: | 2015-03-02 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis. Ann.Rheum.Dis., 75, 2016
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2XB7
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![BU of 2xb7 by Molmil](/molmil-images/mine/2xb7) | Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684 | Descriptor: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, ALK TYROSINE KINASE RECEPTOR | Authors: | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | Deposit date: | 2010-04-08 | Release date: | 2010-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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1VYP
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![BU of 1vyp by Molmil](/molmil-images/mine/1vyp) | Structure of pentaerythritol tetranitrate reductase W102F mutant and complexed with picric acid | Descriptor: | FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID | Authors: | Barna, T, Moody, P.C.E. | Deposit date: | 2004-05-04 | Release date: | 2004-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation J.Biol.Chem., 279, 2004
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3S3N
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![BU of 3s3n by Molmil](/molmil-images/mine/3s3n) | Crystal structure of the Prototype Foamy Virus (PFV) S217H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572) | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2011-05-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol., 80, 2011
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5AKC
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![BU of 5akc by Molmil](/molmil-images/mine/5akc) | MutS in complex with the N-terminal domain of MutL - crystal form 2 | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | Deposit date: | 2015-03-03 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (6.6 Å) | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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2UXX
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![BU of 2uxx by Molmil](/molmil-images/mine/2uxx) | Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct | Descriptor: | CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ... | Authors: | Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H. | Deposit date: | 2007-03-30 | Release date: | 2007-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine. Biochemistry, 46, 2007
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2N0I
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![BU of 2n0i by Molmil](/molmil-images/mine/2n0i) | NMR solution structure for di-sulfide 11mer peptide | Descriptor: | di-sulfide 11mer peptide | Authors: | Hoang, H.N, Song, K, Hill, T.A, Derksen, D.R, Edmonds, D.J, Kok, W.M, Limberakis, C, Liras, S, Loria, P.M, Mascitti, V, Mathiowetz, A.M, Mitchell, J.M, Piotrowski, D.W, Price, D.A, Stanton, R.V, Suen, J.Y, Withka, J.M, Griffith, D.A, Fairlie, D.P. | Deposit date: | 2015-03-09 | Release date: | 2015-04-15 | Last modified: | 2024-04-03 | Method: | SOLUTION NMR | Cite: | Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists. J.Med.Chem., 58, 2015
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5LE7
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![BU of 5le7 by Molmil](/molmil-images/mine/5le7) | Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_13_D12 | Descriptor: | DD_D12_13_D12, SULFATE ION | Authors: | Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A. | Deposit date: | 2016-06-29 | Release date: | 2017-08-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Rigidly connected multispecific artificial binders with adjustable geometries. Sci Rep, 7, 2017
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5TTG
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![BU of 5ttg by Molmil](/molmil-images/mine/5ttg) | Crystal structure of catalytic domain of GLP with MS012 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-11-03 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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7QFA
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5LVI
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1BR5
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![BU of 1br5 by Molmil](/molmil-images/mine/1br5) | RICIN A CHAIN (RECOMBINANT) COMPLEX WITH NEOPTERIN | Descriptor: | NEOPTERIN, PROTEIN (RICIN) | Authors: | Day, P, Yan, X, Hollis, T, Svinth, M, Monzingo, A.F, Milne, G.W.A, Robertus, J.D. | Deposit date: | 1998-08-26 | Release date: | 1998-09-02 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based identification of a ricin inhibitor. J.Mol.Biol., 266, 1997
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1EEJ
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![BU of 1eej by Molmil](/molmil-images/mine/1eej) | CRYSTAL STRUCTURE OF THE PROTEIN DISULFIDE BOND ISOMERASE, DSBC, FROM ESCHERICHIA COLI | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, THIOL:DISULFIDE INTERCHANGE PROTEIN | Authors: | McCarthy, A.A, Haebel, P.W, Torronen, A, Rybin, V, Baker, E.N, Metcalf, P. | Deposit date: | 2000-01-31 | Release date: | 2000-08-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the protein disulfide bond isomerase, DsbC, from Escherichia coli. Nat.Struct.Biol., 7, 2000
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5LVM
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![BU of 5lvm by Molmil](/molmil-images/mine/5lvm) | Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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5LWF
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![BU of 5lwf by Molmil](/molmil-images/mine/5lwf) | Structure of a single domain camelid antibody fragment cAb-G10S in complex with the BlaP beta-lactamase from Bacillus licheniformis | Descriptor: | ACETATE ION, Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-G10S | Authors: | Vettore, N, Kerff, F, Pain, C, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | Deposit date: | 2016-09-16 | Release date: | 2017-11-15 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments To Be Published
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3M9F
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![BU of 3m9f by Molmil](/molmil-images/mine/3m9f) | HIV protease complexed with compound 10b | Descriptor: | CHLORIDE ION, HIV-1 protease, N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide | Authors: | Su, H.P. | Deposit date: | 2010-03-22 | Release date: | 2010-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6YWN
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![BU of 6ywn by Molmil](/molmil-images/mine/6ywn) | CutA in complex with CMPCPP | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CALCIUM ION, CutA | Authors: | Malik, D, Kobylecki, K, Krawczyk, P, Poznanski, J, Jakielaszek, A, Napiorkowska, A, Dziembowski, A, Tomecki, R, Nowotny, M. | Deposit date: | 2020-04-29 | Release date: | 2020-08-05 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine. Nucleic Acids Res., 48, 2020
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1I5V
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![BU of 1i5v by Molmil](/molmil-images/mine/1i5v) | SOLUTION STRUCTURE OF 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL INTERCALATED IN THE DNA DUPLEX D(CGATCG)2 | Descriptor: | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL, 5'-D(*CP*GP*AP*TP*CP*G)-3' | Authors: | Favier, A, Blackledge, M, Simorre, J.P, Marion, D, Debousy, J.C. | Deposit date: | 2001-03-01 | Release date: | 2001-03-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of 2-(pyrido[1,2-e]purin-4-yl)amino-ethanol intercalated in the DNA duplex d(CGATCG)2. Biochemistry, 40, 2001
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1NEV
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![BU of 1nev by Molmil](/molmil-images/mine/1nev) | A-tract decamer | Descriptor: | 5'-D(*CP*CP*GP*TP*TP*TP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*AP*AP*AP*CP*GP*G)-3' | Authors: | Barbic, A, Zimmer, D.P, Crothers, D.M. | Deposit date: | 2002-12-11 | Release date: | 2003-03-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural origins of adenine-tract bending Proc.Natl.Acad.Sci.USA, 100, 2003
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1NFK
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![BU of 1nfk by Molmil](/molmil-images/mine/1nfk) | STRUCTURE OF THE NUCLEAR FACTOR KAPPA-B (NF-KB) P50 HOMODIMER | Descriptor: | DNA (5'-D(*TP*GP*GP*GP*AP*AP*TP*TP*CP*CP*C)-3'), PROTEIN (NUCLEAR FACTOR KAPPA-B (NF-KB)) | Authors: | Ghosh, G, Van Duyne, G, Ghosh, S, Sigler, P.B. | Deposit date: | 1995-02-28 | Release date: | 1996-12-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of NF-kappa B p50 homodimer bound to a kappa B site. Nature, 373, 1995
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7TYE
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1BVH
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![BU of 1bvh by Molmil](/molmil-images/mine/1bvh) | SOLUTION STRUCTURE OF A LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE | Descriptor: | ACID PHOSPHATASE | Authors: | Logan, T.M, Zhou, M.-M, Nettesheim, D.G, Meadows, R.P, Van Etten, R.L, Fesik, S.W. | Deposit date: | 1994-05-03 | Release date: | 1994-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a low molecular weight protein tyrosine phosphatase. Biochemistry, 33, 1994
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