3CL1
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![BU of 3cl1 by Molmil](/molmil-images/mine/3cl1) | M. loti cyclic-nucleotide binding domain, cyclic-GMP bound | Descriptor: | CHLORIDE ION, CYCLIC GUANOSINE MONOPHOSPHATE, Mll3241 protein, ... | Authors: | Clayton, G.M, Alteiri, S.L, Thomas, L.R, Morais-Cabral, J.H. | Deposit date: | 2008-03-18 | Release date: | 2008-08-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Energetic Analysis of Activation by a Cyclic Nucleotide Binding Domain. J.Mol.Biol., 381, 2008
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6HQG
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![BU of 6hqg by Molmil](/molmil-images/mine/6hqg) | Cytochrome P450-153 from Phenylobacterium zucineum | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fiorentini, F, Mattevi, A. | Deposit date: | 2018-09-25 | Release date: | 2018-12-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases. Biochemistry, 57, 2018
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5DGX
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![BU of 5dgx by Molmil](/molmil-images/mine/5dgx) | 1.73 Angstrom resolution crystal structure of the ABC-ATPase domain (residues 357-609) of lipid A transport protein (msbA) from Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipid A export ATP-binding/permease protein MsbA | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-08-28 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | 1.73 Angstrom resolution crystal structure of the ABC-ATPase domain (residues 357-609) of lipid A transport protein (msbA) from Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP To Be Published
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5DH3
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![BU of 5dh3 by Molmil](/molmil-images/mine/5dh3) | Crystal structure of MST2 in complex with XMU-MP-1 | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ... | Authors: | Kong, L.L, Yun, C.H. | Deposit date: | 2015-08-29 | Release date: | 2016-08-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.468 Å) | Cite: | Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration Sci Transl Med, 8, 2016
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6U96
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![BU of 6u96 by Molmil](/molmil-images/mine/6u96) | Actin phalloidin at BeFx state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Das, S, Ge, P, Durer, Z.A.O, Grintsevich, E.E, Zhou, Z.H, Reisler, E. | Deposit date: | 2019-09-06 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | D-loop Dynamics and Near-Atomic-Resolution Cryo-EM Structure of Phalloidin-Bound F-Actin. Structure, 28, 2020
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8ALK
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![BU of 8alk by Molmil](/molmil-images/mine/8alk) | Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1 | Descriptor: | 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kaspers, M.S, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | Deposit date: | 2022-08-01 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b. Nat Commun, 14, 2023
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5CPP
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5CYX
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3CYX
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![BU of 3cyx by Molmil](/molmil-images/mine/3cyx) | Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, GLYCEROL, ... | Authors: | Liu, F, Weber, I.T. | Deposit date: | 2008-04-27 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir. J.Mol.Biol., 381, 2008
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5D14
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3CQP
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![BU of 3cqp by Molmil](/molmil-images/mine/3cqp) | Human SOD1 G85R Variant, Structure I | Descriptor: | COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | Deposit date: | 2008-04-03 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
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3CR6
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6HWU
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![BU of 6hwu by Molmil](/molmil-images/mine/6hwu) | Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2) | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-15 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
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5D1I
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6HX4
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![BU of 6hx4 by Molmil](/molmil-images/mine/6hx4) | Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin | Descriptor: | Alpha-1-antitrypsin, Fab 1D9 heavy chain, Fab 1D9 light chain | Authors: | Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Lomas, D.A, Irving, J.A. | Deposit date: | 2018-10-15 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin To Be Published
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6HBJ
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![BU of 6hbj by Molmil](/molmil-images/mine/6hbj) | Echovirus 18 empty particle | Descriptor: | Viral protein 1, Viral protein 2, Viral protein 3 | Authors: | Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P. | Deposit date: | 2018-08-10 | Release date: | 2019-03-20 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Enterovirus particles expel capsid pentamers to enable genome release. Nat Commun, 10, 2019
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5D4A
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![BU of 5d4a by Molmil](/molmil-images/mine/5d4a) | Crystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acid | Descriptor: | 3-(2-phenyl-1H-indol-1-yl)propanoic acid, Fatty acid-binding protein, adipocyte | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | Deposit date: | 2015-08-07 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis Acs Med.Chem.Lett., 7, 2016
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3CKW
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![BU of 3ckw by Molmil](/molmil-images/mine/3ckw) | Crystal structure of sterile 20-like kinase 3 (MST3, STK24) | Descriptor: | MERCURY (II) ION, Serine/threonine-protein kinase 24 | Authors: | Antonysamy, S.S, Burley, S.K, Buchanan, S, Chau, F, Feil, I, Wu, L, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-03-17 | Release date: | 2008-04-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of sterile 20-like kinase 3 (MST3, STK24). To be Published
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8ATK
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![BU of 8atk by Molmil](/molmil-images/mine/8atk) | The SH2 domain of mouse SH2B1 | Descriptor: | SH2B adapter protein 1 | Authors: | Fowler, N.J, Williamson, M.P, Albalwi, M.F. | Deposit date: | 2022-08-23 | Release date: | 2023-05-24 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Improved methodology for protein NMR structure calculation using hydrogen bond restraints and ANSURR validation: The SH2 domain of SH2B1. Structure, 31, 2023
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5DBQ
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![BU of 5dbq by Molmil](/molmil-images/mine/5dbq) | Crystal structure of insect thioredoxin at 1.95 Angstroms | Descriptor: | Thioredoxin | Authors: | Klinke, S, Tejedor, M.D, Cerutti, M.L, Giacometti, R, Otero, L.H, Goldbaum, F.A, Zavala, J.A, Wolosiuk, R.A, Pagano, E.A. | Deposit date: | 2015-08-21 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of insect thioredoxin at 1.95 Angstroms To Be Published
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6UNI
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![BU of 6uni by Molmil](/molmil-images/mine/6uni) | Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | Authors: | Sevrioukova, I.F. | Deposit date: | 2019-10-11 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
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6HAB
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![BU of 6hab by Molmil](/molmil-images/mine/6hab) | Crystal structure of BiP V461F (apo) | Descriptor: | DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP | Authors: | Yan, Y, Ron, D. | Deposit date: | 2018-08-07 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP. Nat Commun, 10, 2019
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3CP5
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![BU of 3cp5 by Molmil](/molmil-images/mine/3cp5) | Cytochrome c from rhodothermus marinus | Descriptor: | Cytochrome c, HEME C, SULFATE ION | Authors: | Stelter, M, Melo, A, Saraiva, L, Teixeira, M, Archer, M. | Deposit date: | 2008-03-31 | Release date: | 2008-10-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | A novel type of monoheme cytochrome c: biochemical and structural characterization at 1.23 A resolution of rhodothermus marinus cytochrome c Biochemistry, 47, 2008
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6HGF
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![BU of 6hgf by Molmil](/molmil-images/mine/6hgf) | Crystal structure of Alpha1-antichymotrypsin variant NewBG-II: a new binding globulin in complex with cortisol | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | Authors: | Schmidt, K, Muller, Y.A. | Deposit date: | 2018-08-23 | Release date: | 2019-05-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy. J.Struct.Biol., 207, 2019
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6ULB
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