6SR5
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![BU of 6sr5 by Molmil](/molmil-images/mine/6sr5) | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 102 fs time delay | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | Authors: | Kloos, M, Gorel, A, Nass, K. | Deposit date: | 2019-09-04 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses. Nat Commun, 11, 2020
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6GX6
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![BU of 6gx6 by Molmil](/molmil-images/mine/6gx6) | Crystal structure of IMP3 RRM12 in complex with RNA (ACAC) | Descriptor: | 1,2-ETHANEDIOL, Insulin-like growth factor 2 mRNA-binding protein 3, PHOSPHATE ION, ... | Authors: | Jia, M, Gut, H, Chao, A.J. | Deposit date: | 2018-06-26 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of IMP3 RRM12 recognition of RNA. RNA, 24, 2018
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3DHR
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![BU of 3dhr by Molmil](/molmil-images/mine/3dhr) | Crystal Structure Determination of Methemoglobin from Pigeon at 2 Angstrom Resolution (Columba livia) | Descriptor: | Hemoglobin subunit alpha-A, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sathya Moorthy, P, Neelagandan, K, Balasubramanian, M, Ponnuswamy, M.N. | Deposit date: | 2008-06-18 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Purification, Crystallization and X-ray Diffraction Studies of Pigeon Hemoglobin To be Published
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5DLA
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![BU of 5dla by Molmil](/molmil-images/mine/5dla) | Structure of Tetragonal Lysozyme solved by UWO Students | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | Authors: | Bednarski, R, Cirricione, N, Greco, A, Hodgson, R, Kent, S, McGowan, J, Notherm, B, Patt, M, Vue, L, Bianchetti, C.M. | Deposit date: | 2015-09-04 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students To Be Published
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6SFO
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![BU of 6sfo by Molmil](/molmil-images/mine/6sfo) | MAPK14 with bound inhibitor SR-318 | Descriptor: | 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | Authors: | Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | MAPK14 with bound inhibitor SR-318 To Be Published
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6SVU
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![BU of 6svu by Molmil](/molmil-images/mine/6svu) | Reference structure of bovine trypsin (even frames of crystal x30) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-19 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
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3DE7
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![BU of 3de7 by Molmil](/molmil-images/mine/3de7) | |
8B8S
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![BU of 8b8s by Molmil](/molmil-images/mine/8b8s) | Solution structure of tandem RRM1 and RRM2 domains of yeast NPL3 | Descriptor: | Serine/arginine (SR)-type shuttling mRNA binding protein NPL3 | Authors: | Kachariya, N, Sattler, M, Keil, P, Strasser, K. | Deposit date: | 2022-10-04 | Release date: | 2022-11-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Npl3 functions in mRNP assembly by recruitment of mRNP components to the transcription site and their transfer onto the mRNA. Nucleic Acids Res., 51, 2023
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6SVZ
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![BU of 6svz by Molmil](/molmil-images/mine/6svz) | Reference structure of bovine trypsin (even frames of crystal x34) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-19 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
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6SWL
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![BU of 6swl by Molmil](/molmil-images/mine/6swl) | The REC domain of XynC, a response regulator from Geobacillus stearothermophilus | Descriptor: | MAGNESIUM ION, Two-component response regulator | Authors: | Lansky, S, Lavid, N, Shoham, Y, Shoham, G. | Deposit date: | 2019-09-22 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | The REC domain of XynC, a response regulator from Geobacillus stearothermophilus To Be Published
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8BFM
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![BU of 8bfm by Molmil](/molmil-images/mine/8bfm) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331 | Descriptor: | Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine | Authors: | Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-26 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2) To Be Published
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5DMI
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3DJX
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![BU of 3djx by Molmil](/molmil-images/mine/3djx) | Bovine Seminal Ribonuclease- cytidine 5' phosphate complex | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Seminal ribonuclease | Authors: | Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | Deposit date: | 2008-06-24 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
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6H1T
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![BU of 6h1t by Molmil](/molmil-images/mine/6h1t) | Structure of the BM3 heme domain in complex with clotrimazole | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, ... | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | Deposit date: | 2018-07-12 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs. Sci Rep, 9, 2019
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5DNR
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![BU of 5dnr by Molmil](/molmil-images/mine/5dnr) | Aurora A Kinase in complex with ATP in space group P41212 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | Deposit date: | 2015-09-10 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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6H47
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![BU of 6h47 by Molmil](/molmil-images/mine/6h47) | Human KRAS in complex with darpin K19 | Descriptor: | GTPase KRas, SULFATE ION, darpin K19 | Authors: | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | Deposit date: | 2018-07-20 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
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3DI7
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![BU of 3di7 by Molmil](/molmil-images/mine/3di7) | Crystal structure of bovine pancreatic ribonuclease A variant (V54A) | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION | Authors: | Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K. | Deposit date: | 2008-06-20 | Release date: | 2008-07-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability Proteins, 77, 2009
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6SP9
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![BU of 6sp9 by Molmil](/molmil-images/mine/6sp9) | Fragment KCL802 in complex with MAP kinase p38-alpha | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, CALCIUM ION, ... | Authors: | Nichols, C.E, De Nicola, G.F. | Deposit date: | 2019-08-31 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5E8X
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![BU of 5e8x by Molmil](/molmil-images/mine/5e8x) | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) IN COMPLEX WITH STAUROSPORINE | Descriptor: | GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1 | Authors: | Sheriff, S. | Deposit date: | 2015-10-14 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity. Acta Crystallogr D Struct Biol, 72, 2016
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5E9Z
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![BU of 5e9z by Molmil](/molmil-images/mine/5e9z) | Cytochrome P450 BM3 mutant M11 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ... | Authors: | Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P. | Deposit date: | 2015-10-15 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. Proteins, 84, 2016
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8BGC
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![BU of 8bgc by Molmil](/molmil-images/mine/8bgc) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) | Descriptor: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-27 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2. Acs Med.Chem.Lett., 14, 2023
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6SOU
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![BU of 6sou by Molmil](/molmil-images/mine/6sou) | Fragment N13565a in complex with MAP kinase p38-alpha | Descriptor: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, CHLORIDE ION, Mitogen-activated protein kinase 14, ... | Authors: | Nichols, C.E, De Nicola, G.F. | Deposit date: | 2019-08-29 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6HFC
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![BU of 6hfc by Molmil](/molmil-images/mine/6hfc) | Influenza A Virus N9 Neuraminidase Native (Tern). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-21 | Release date: | 2018-08-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation) To Be Published
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6SPK
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![BU of 6spk by Molmil](/molmil-images/mine/6spk) | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 6 | Descriptor: | 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Chantadul, V, Amporndanai, K, Wright, G, Shahid, M, Antonyuk, S, Hasnain, S. | Deposit date: | 2019-09-01 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
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3DLS
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![BU of 3dls by Molmil](/molmil-images/mine/3dls) | Crystal structure of human PAS kinase bound to ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PAS domain-containing serine/threonine-protein kinase | Authors: | Antonysamy, S, Bonanno, J.B, Romero, R, Russell, M, Iizuka, M, Gheyi, T, Wasserman, S.R, Rutter, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-29 | Release date: | 2008-08-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural bases of PAS domain-regulated kinase (PASK) activation in the absence of activation loop phosphorylation. J.Biol.Chem., 285, 2010
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