5MIZ
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5MKS
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![BU of 5mks by Molmil](/molmil-images/mine/5mks) | HSP72-NBD bound to compound TCI 8 - Tyr15 in down-conformation | Descriptor: | 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, Heat shock 70 kDa protein 1A | Authors: | Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M. | Deposit date: | 2016-12-05 | Release date: | 2017-03-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56. Angew. Chem. Int. Ed. Engl., 56, 2017
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5CMV
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![BU of 5cmv by Molmil](/molmil-images/mine/5cmv) | Ultrafast dynamics in myoglobin: dark-state, CO-ligated structure | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CND
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![BU of 5cnd by Molmil](/molmil-images/mine/5cnd) | Ultrafast dynamics in myoglobin: 3 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5MOP
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![BU of 5mop by Molmil](/molmil-images/mine/5mop) | Joint X-ray/neutron structure of cationic trypsin in its apo form | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | Deposit date: | 2016-12-14 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (0.99 Å), X-RAY DIFFRACTION | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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5CN5
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![BU of 5cn5 by Molmil](/molmil-images/mine/5cn5) | Ultrafast dynamics in myoglobin: 0 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5MRS
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![BU of 5mrs by Molmil](/molmil-images/mine/5mrs) | Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. | Deposit date: | 2016-12-26 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF To Be Published
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5C6C
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![BU of 5c6c by Molmil](/molmil-images/mine/5c6c) | PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ... | Authors: | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | Deposit date: | 2015-06-22 | Release date: | 2016-01-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016
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8ILW
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![BU of 8ilw by Molmil](/molmil-images/mine/8ilw) | Transcription factor LMX1a homeobox domain in complex with Pitx3 promoter | Descriptor: | DNA (5'-D(*CP*AP*AP*CP*AP*CP*TP*TP*AP*AP*TP*CP*CP*AP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*TP*GP*GP*AP*TP*TP*AP*AP*GP*TP*GP*TP*T)-3'), LMX1A factor | Authors: | Lv, M.Q, Lin, L.Q. | Deposit date: | 2023-03-04 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.712 Å) | Cite: | Structural insights into the recognition of the A/T-rich motif in target gene promoters by the LMX1a homeobox domain Febs J., 2024
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8IMW
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8IEI
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5MVA
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5MJD
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![BU of 5mjd by Molmil](/molmil-images/mine/5mjd) | metNgb under oxygen at 80 bar | Descriptor: | Neuroglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2016-11-30 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments. Iucrj, 6, 2019
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5MJJ
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5C6J
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![BU of 5c6j by Molmil](/molmil-images/mine/5c6j) | Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | Authors: | Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N. | Deposit date: | 2015-06-23 | Release date: | 2015-07-08 | Last modified: | 2018-11-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Towards phasing using high X-ray intensity. Iucrj, 2, 2015
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8IEB
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5MNC
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![BU of 5mnc by Molmil](/molmil-images/mine/5mnc) | Cationic trypsin in complex with aniline (deuterated sample at 100 K) | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.916 Å) | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
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5MNK
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8IK5
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![BU of 8ik5 by Molmil](/molmil-images/mine/8ik5) | Transcription factor LMX1a homeobox domain in complex with Wnt1 promoter | Descriptor: | DNA (5'-D(*CP*CP*AP*TP*AP*TP*TP*TP*AP*AP*TP*CP*TP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*AP*GP*AP*TP*TP*AP*AP*AP*TP*AP*TP*G)-3'), GLYCEROL, ... | Authors: | Lv, M.Q, Lin, L.Q. | Deposit date: | 2023-02-28 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Structural insights into the recognition of the A/T-rich motif in target gene promoters by the LMX1a homeobox domain Febs J., 2024
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5CLM
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![BU of 5clm by Molmil](/molmil-images/mine/5clm) | 1,4-Oxazine BACE1 inhibitors | Descriptor: | Beta-secretase 1, CHLORIDE ION, IODIDE ION, ... | Authors: | Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H. | Deposit date: | 2015-07-16 | Release date: | 2015-09-30 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | 1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads. J.Med.Chem., 58, 2015
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8IEP
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5CO6
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8IEQ
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![BU of 8ieq by Molmil](/molmil-images/mine/8ieq) | Cryo-EM structure of G-protein free GPR156 | Descriptor: | Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate | Authors: | Shin, J, Park, J, Cho, Y. | Deposit date: | 2023-02-15 | Release date: | 2024-02-14 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Constitutive activation mechanism of a class C GPCR. Nat.Struct.Mol.Biol., 31, 2024
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8IKE
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5M62
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![BU of 5m62 by Molmil](/molmil-images/mine/5m62) | Structure of the Mus musclus Langerin carbohydrate recognition domain in complex with glucose | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ... | Authors: | Loll, B, Aretz, J, Rademacher, C, Wahl, M.C. | Deposit date: | 2016-10-24 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent. J. Biol. Chem., 292, 2017
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