6TVL
 
 | | Hen Egg White Lysozyme in complex with a "half sandwich"-type Ru(II) coordination compound | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | | Deposit date: | 2020-01-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.395 Å) | | Cite: | High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K.
J.Biol.Inorg.Chem., 25, 2020
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4Q7M
 | | Structure of NBD288-Avi of TM287/288 | | Descriptor: | Uncharacterized ABC transporter ATP-binding protein TM_0288 | | Authors: | Bukowska, M.A, Hohl, M, Gruetter, M.G, Seeger, M.A. | | Deposit date: | 2014-04-25 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Transporter Motor Taken Apart: Flexibility in the Nucleotide Binding Domains of a Heterodimeric ABC Exporter.
Biochemistry, 54, 2015
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8PH5
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)2(O2CCH3)2] in condition B | | Descriptor: | 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-19 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
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8PUQ
 | | MetHemoglobin structure from serial synchrotron crystallography with fixed target | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bjelcic, M, Sigfridsson Clauss, K, Aurelius, O, Milas, M, Nan, J, Ursby, T. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Anaerobic fixed-target serial crystallography using sandwiched silicon nitride membranes.
Acta Crystallogr D Struct Biol, 79, 2023
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5EY4
 | | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 78 kDa glucose-regulated protein | | Authors: | Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. | | Deposit date: | 2015-11-24 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
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6TWB
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8A5J
 | | Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound 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, Serine/threonine-protein kinase 4 37kDa subunit | | Authors: | Nawrotek, A, Vuillard, L, Miallau, L. | | Deposit date: | 2022-06-15 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.123 Å) | | Cite: | Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
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5EX6
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5EYO
 | | The crystal structure of the Max bHLH domain in complex with 5-carboxyl cytosine DNA | | Descriptor: | DNA (5'-D(*AP*GP*TP*AP*GP*CP*AP*(1CC)P*GP*TP*GP*CP*TP*AP*CP*T)-3'), Protein max | | Authors: | Wang, D, Hashimoto, H, Zhang, X, Cheng, X. | | Deposit date: | 2015-11-25 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | MAX is an epigenetic sensor of 5-carboxylcytosine and is altered in multiple myeloma.
Nucleic Acids Res., 45, 2017
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8A8M
 | | Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | | Authors: | Bowler, M.W, Juyoux, P, Pellegrini, E. | | Deposit date: | 2022-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
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6HGJ
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7ZJF
 | | R399E, a mutated form of GDF5, for disease modification of osteoarthritis | | Descriptor: | Growth/differentiation factor 5 | | Authors: | Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K. | | Deposit date: | 2022-04-10 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis.
Arthritis Rheumatol, 75, 2023
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6Z2C
 | | Engineered lipocalin C3A5 in complex with a transition state analog | | Descriptor: | 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, Neutrophil gelatinase-associated lipocalin | | Authors: | Skerra, A, Eichinger, A. | | Deposit date: | 2020-05-15 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of an engineered lipocalin that catalyzes a Diels-Alder reaction
To be published
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6TXG
 | | Proteinase K in complex with a "half sandwich"-type Ru(II) coordination compound | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, NITRATE ION, ... | | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | | Deposit date: | 2020-01-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.372 Å) | | Cite: | High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K.
J.Biol.Inorg.Chem., 25, 2020
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4QF7
 | | Crystal Structure of the Complex of Phospholipase A2 with Corticosterone at 1.48 A Resolution | | Descriptor: | CORTICOSTERONE, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-05-20 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structures and binding studies of the complexes of phospholipase A2 with five inhibitors
Biochim.Biophys.Acta, 1854, 2015
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4QGX
 | | Crystal structure of the R132K:R111L:L121E mutant of Cellular Retinoic Acid Binding ProteinII complexed with a synthetic ligand (Merocyanine) at 1.47 angstrom resolution | | Descriptor: | (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, Cellular retinoic acid-binding protein 2 | | Authors: | Nosrati, M, Yapici, I, Geiger, J.H. | | Deposit date: | 2014-05-26 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.471 Å) | | Cite: | "Turn-on" protein fluorescence: in situ formation of cyanine dyes.
J.Am.Chem.Soc., 137, 2015
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5EYS
 | | Crystal structure of murine neuroglobin mutant F106W at ambient pressure | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | Deposit date: | 2015-11-25 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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6HJJ
 | | Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand | | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ... | | Authors: | Bayliss, R, McIntyre, P.J. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13, 2018
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6Z19
 | | Crystal structure of P8C9 bound to CK2alpha | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2020-05-13 | | Release date: | 2021-05-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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5EZX
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2016-05-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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6Z2Z
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7ZUN
 | | Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound | | Descriptor: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1 | | Authors: | Casale, E. | | Deposit date: | 2022-05-12 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids.
Chirality, 34, 2022
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5F01
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | | Descriptor: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5F0B
 | | Crystal structure of murine neuroglobin mutant F106W at 280 MPa pressure | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | Deposit date: | 2015-11-27 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.146 Å) | | Cite: | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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6Z2U
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