5HLW
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![BU of 5hlw by Molmil](/molmil-images/mine/5hlw) | Crystal structure of c-Met mutant Y1230H in complex with compound 14 | Descriptor: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor | Authors: | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | Deposit date: | 2016-01-15 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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2MMZ
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![BU of 2mmz by Molmil](/molmil-images/mine/2mmz) | Solution structure of the apo form of human glutaredoxin 5 | Descriptor: | Glutaredoxin-related protein 5, mitochondrial | Authors: | Banci, L, Brancaccio, D, Ciofi-Baffoni, S, Del Conte, R, Gadepalli, R, Mikolajczyk, M, Neri, S, Piccioli, M, Winkelmann, J. | Deposit date: | 2014-03-25 | Release date: | 2014-04-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | [2Fe-2S] cluster transfer in iron-sulfur protein biogenesis. Proc.Natl.Acad.Sci.USA, 111, 2014
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3S1T
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6HIF
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![BU of 6hif by Molmil](/molmil-images/mine/6hif) | Kuenenia stuttgartiensis hydrazine dehydrogenase complex | Descriptor: | GLYCEROL, HEME C, Hydrazine dehydrogenase, ... | Authors: | Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M. | Deposit date: | 2018-08-29 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A 192-heme electron transfer network in the hydrazine dehydrogenase complex. Sci Adv, 5, 2019
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6HLL
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![BU of 6hll by Molmil](/molmil-images/mine/6hll) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994 | Descriptor: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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6HLO
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![BU of 6hlo by Molmil](/molmil-images/mine/6hlo) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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6HLP
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![BU of 6hlp by Molmil](/molmil-images/mine/6hlp) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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3CU8
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![BU of 3cu8 by Molmil](/molmil-images/mine/3cu8) | Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome | Descriptor: | 14-3-3 protein zeta/delta, MAGNESIUM ION, PROPANOIC ACID, ... | Authors: | Schumacher, B, Weyand, M, Kuhlmann, J, Ottmann, C. | Deposit date: | 2008-04-16 | Release date: | 2009-05-05 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling. Mol. Cell. Biol., 30, 2010
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4IY8
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![BU of 4iy8 by Molmil](/molmil-images/mine/4iy8) | Bmlp3 - P21 crystal form | Descriptor: | 30K protein 1, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL | Authors: | Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G. | Deposit date: | 2013-01-28 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Two Crystal Structures of Bombyx mori Lipoprotein 3 - Structural Characterization of a New 30-kDa Lipoprotein Family Member. Plos One, 8, 2013
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4IY9
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![BU of 4iy9 by Molmil](/molmil-images/mine/4iy9) | Bmlp3 - C2 crystal form | Descriptor: | 30K protein 1, IODIDE ION | Authors: | Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G. | Deposit date: | 2013-01-28 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two Crystal Structures of Bombyx mori Lipoprotein 3 - Structural Characterization of a New 30-kDa Lipoprotein Family Member. Plos One, 8, 2013
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2LD4
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![BU of 2ld4 by Molmil](/molmil-images/mine/2ld4) | Solution structure of the N-terminal domain of human anamorsin | Descriptor: | Anamorsin | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Boscaro, F, Chatzi, A, Mikolajczyk, M, Tokatlidis, K, Winkelmann, J. | Deposit date: | 2011-05-13 | Release date: | 2011-07-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Anamorsin Is a [2Fe-2S] Cluster-Containing Substrate of the Mia40-Dependent Mitochondrial Protein Trapping Machinery. Chem.Biol., 18, 2011
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1PEN
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![BU of 1pen by Molmil](/molmil-images/mine/1pen) | ALPHA-CONOTOXIN PNI1 | Descriptor: | ALPHA-CONOTOXIN PNIA | Authors: | Hu, S.-H, Gehrmann, J, Guddat, L.W, Alewood, P.F, Craik, D.J, Martin, J.L. | Deposit date: | 1996-01-29 | Release date: | 1997-04-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The 1.1 A crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus. Structure, 4, 1996
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4FEN
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![BU of 4fen by Molmil](/molmil-images/mine/4fen) | Crystal structure of the A24U/U25A/A46G mutant xpt-pbuX guanine riboswitch aptamer domain in complex with hypoxanthine | Descriptor: | A24U/U25A/A46G mutant of the B. subtilis xpt-pbuX guanine riboswitch aptamer domain, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T. | Deposit date: | 2012-05-30 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch. J.Mol.Biol., 425, 2013
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4H2D
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![BU of 4h2d by Molmil](/molmil-images/mine/4h2d) | Crystal structure of NDOR1 | Descriptor: | FLAVIN MONONUCLEOTIDE, NADPH-dependent diflavin oxidoreductase 1 | Authors: | Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mikolajczyk, M, Jaiswal, D, Winkelmann, J. | Deposit date: | 2012-09-12 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular view of an electron transfer process essential for iron-sulfur protein biogenesis. Proc.Natl.Acad.Sci.USA, 110, 2013
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4L37
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![BU of 4l37 by Molmil](/molmil-images/mine/4l37) | SP2-SP3 - a complex of two storage proteins from Bombyx mori hemolymph | Descriptor: | Arylphorin, SODIUM ION, SULFATE ION, ... | Authors: | Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G. | Deposit date: | 2013-06-05 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic identification of an unexpected protein complex in silkworm haemolymph. Acta Crystallogr.,Sect.D, 69, 2013
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4MTX
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3RKR
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![BU of 3rkr by Molmil](/molmil-images/mine/3rkr) | Crystal structure of a metagenomic short-chain oxidoreductase (SDR) in complex with NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, Short chain oxidoreductase | Authors: | Mayerhofer, H, Bijtenhoorn, P, Streit, W.R, Mueller-Dieckmann, J. | Deposit date: | 2011-04-18 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | A novel metagenomic short-chain dehydrogenase/reductase attenuates Pseudomonas aeruginosa biofilm formation and virulence on Caenorhabditis elegans. Plos One, 6, 2011
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4MT8
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4O2A
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![BU of 4o2a by Molmil](/molmil-images/mine/4o2a) | Tubulin-BAL27862 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-{1-[2-(4-aminophenyl)-2-oxoethyl]-1H-benzimidazol-2-yl}-1,2,5-oxadiazol-3-yl)amino]propanenitrile, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O. | Deposit date: | 2013-12-17 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization. J.Mol.Biol., 426, 2014
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7P00
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![BU of 7p00 by Molmil](/molmil-images/mine/7p00) | Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | Deposit date: | 2021-06-29 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features. Sci Adv, 7, 2021
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7P02
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![BU of 7p02 by Molmil](/molmil-images/mine/7p02) | Human Neurokinin 1 receptor (NK1R) substance P Gs complex | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | Deposit date: | 2021-06-29 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features. Sci Adv, 7, 2021
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3CFA
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3CFH
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1I2G
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![BU of 1i2g by Molmil](/molmil-images/mine/1i2g) | Ribonuclease T1 V16T mutant | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, GUANYL-SPECIFIC RIBONUCLEASE T1 | Authors: | De Vos, S, Backmann, J, Steyaert, J, Loris, R. | Deposit date: | 2001-02-09 | Release date: | 2001-03-07 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Hydrophobic core manipulations in ribonuclease T1 Biochemistry, 40, 2001
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1HW7
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![BU of 1hw7 by Molmil](/molmil-images/mine/1hw7) | HSP33, HEAT SHOCK PROTEIN WITH REDOX-REGULATED CHAPERONE ACTIVITY | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEAT SHOCK PROTEIN HSP33, SULFATE ION, ... | Authors: | Vijayalakshmi, J, Mukhergee, M.K, Graumann, J, Jakob, U, Saper, M.A. | Deposit date: | 2001-01-09 | Release date: | 2001-05-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The 2.2 A crystal structure of Hsp33: a heat shock protein with redox-regulated chaperone activity. Structure, 9, 2001
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