6G5O
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![BU of 6g5o by Molmil](/molmil-images/mine/6g5o) | The structure of a carbohydrate active P450 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Robb, C.S, Hehemann, J.H. | Deposit date: | 2018-03-29 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases. Biochem. J., 475, 2018
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6G5T
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![BU of 6g5t by Molmil](/molmil-images/mine/6g5t) | Myoglobin H64V/V68A in the resting state, 1.5 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2018-03-30 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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5DDQ
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![BU of 5ddq by Molmil](/molmil-images/mine/5ddq) | L-glutamine riboswitch bound with L-glutamine soaked with Mn2+ | Descriptor: | GLUTAMINE, L-glutamine riboswitch RNA (61-MER), MAGNESIUM ION, ... | Authors: | Ren, A, Patel, D.J. | Deposit date: | 2015-08-25 | Release date: | 2015-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch. Cell Rep, 13, 2015
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6G5V
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![BU of 6g5v by Molmil](/molmil-images/mine/6g5v) | |
5DF6
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![BU of 5df6 by Molmil](/molmil-images/mine/5df6) | Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip | Authors: | Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-08-26 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Biochem.J., 473, 2016
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3DY7
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![BU of 3dy7 by Molmil](/molmil-images/mine/3dy7) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | Descriptor: | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | Deposit date: | 2008-07-25 | Release date: | 2009-06-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg.Med.Chem.Lett., 19, 2009
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5DIA
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![BU of 5dia by Molmil](/molmil-images/mine/5dia) | PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)cyclohexane-1,3-diamine) | Descriptor: | (1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine, Serine/threonine-protein kinase pim-1 | Authors: | Murray, J.M, Wallweber, H. | Deposit date: | 2015-08-31 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.964 Å) | Cite: | Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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8A2T
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![BU of 8a2t by Molmil](/molmil-images/mine/8a2t) | Cryo-EM structure of F-actin in the Mg2+-ADP nucleotide state. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | Deposit date: | 2022-06-06 | Release date: | 2022-08-10 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.24 Å) | Cite: | Structural basis of actin filament assembly and aging. Nature, 611, 2022
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8A2Z
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![BU of 8a2z by Molmil](/molmil-images/mine/8a2z) | Cryo-EM structure of F-actin in the Ca2+-ADP nucleotide state. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | Deposit date: | 2022-06-06 | Release date: | 2022-08-10 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.15 Å) | Cite: | Structural basis of actin filament assembly and aging. Nature, 611, 2022
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6TVY
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![BU of 6tvy by Molmil](/molmil-images/mine/6tvy) | Structure of hen egg white lysozyme crystallized in the presence of Tb-Xo4 crystallophore in the XtalController device | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | de Wijn, R, Rollet, K, Coudray, L, McEwen, A.G, Lorber, B, Sauter, C. | Deposit date: | 2020-01-10 | Release date: | 2020-12-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Monitoring the Production of High Diffraction-Quality Crystals of Two Enzymes in Real Time Using In Situ Dynamic Light Scattering Crystals, 2020
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8A2U
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![BU of 8a2u by Molmil](/molmil-images/mine/8a2u) | Cryo-EM structure of F-actin in the Ca2+-ADP-BeF3- nucleotide state. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | Deposit date: | 2022-06-06 | Release date: | 2022-08-10 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.21 Å) | Cite: | Structural basis of actin filament assembly and aging. Nature, 611, 2022
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8A3Q
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![BU of 8a3q by Molmil](/molmil-images/mine/8a3q) | Human Plasma Kallekrein in complex with 14W | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ... | Authors: | McEwan, P.A. | Deposit date: | 2022-06-08 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema. J.Med.Chem., 65, 2022
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3DTQ
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8A2Y
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![BU of 8a2y by Molmil](/molmil-images/mine/8a2y) | Cryo-EM structure of F-actin in the Ca2+-ADP-Pi nucleotide state. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | Deposit date: | 2022-06-06 | Release date: | 2022-08-10 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.15 Å) | Cite: | Structural basis of actin filament assembly and aging. Nature, 611, 2022
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5DFP
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![BU of 5dfp by Molmil](/molmil-images/mine/5dfp) | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | Descriptor: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | Authors: | Maksimoska, J, Marmorstein, R, Wang, W. | Deposit date: | 2015-08-27 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
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3DV5
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![BU of 3dv5 by Molmil](/molmil-images/mine/3dv5) | Crystal structure of human beta-secretase in complex with NVP-BAV544 | Descriptor: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2008-07-18 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19, 2009
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8A2S
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![BU of 8a2s by Molmil](/molmil-images/mine/8a2s) | Cryo-EM structure of F-actin in the Mg2+-ADP-Pi nucleotide state. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | Deposit date: | 2022-06-06 | Release date: | 2022-08-10 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.22 Å) | Cite: | Structural basis of actin filament assembly and aging. Nature, 611, 2022
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6U3K
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![BU of 6u3k by Molmil](/molmil-images/mine/6u3k) | The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4 | Descriptor: | 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-08-21 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases. Biochemistry, 59, 2020
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5DGU
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![BU of 5dgu by Molmil](/molmil-images/mine/5dgu) | Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A | Descriptor: | (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Agniswamy, J, Wang, Y.-F, Weber, I.T. | Deposit date: | 2015-08-28 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
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6TYH
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![BU of 6tyh by Molmil](/molmil-images/mine/6tyh) | Four-Disulfide Insulin Analog A22/B22 | Descriptor: | ACETONE, CHLORIDE ION, GLYCEROL, ... | Authors: | Blakely, A.D, Xiong, X. | Deposit date: | 2019-08-08 | Release date: | 2019-11-13 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (1.600019 Å) | Cite: | Novel four-disulfide insulin analog with high aggregation stability and potency. Chem Sci, 11, 2020
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5DDR
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![BU of 5ddr by Molmil](/molmil-images/mine/5ddr) | L-glutamine riboswitch bound with L-glutamine soaked with Cs+ | Descriptor: | CESIUM ION, GLUTAMINE, L-glutamine riboswitch RNA (61-MER), ... | Authors: | Ren, A, Patel, D.J. | Deposit date: | 2015-08-25 | Release date: | 2015-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch. Cell Rep, 13, 2015
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8A2R
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![BU of 8a2r by Molmil](/molmil-images/mine/8a2r) | Cryo-EM structure of F-actin in the Mg2+-ADP-BeF3- nucleotide state. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S. | Deposit date: | 2022-06-06 | Release date: | 2022-08-10 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.17 Å) | Cite: | Structural basis of actin filament assembly and aging. Nature, 611, 2022
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3DY0
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![BU of 3dy0 by Molmil](/molmil-images/mine/3dy0) | Crystal Structure of Cleaved PCI Bound to Heparin | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-terminus Plasma serine protease inhibitor, GLYCEROL, ... | Authors: | Li, W, Huntington, J.A. | Deposit date: | 2008-07-25 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The heparin binding site of protein C inhibitor is protease-dependent. J.Biol.Chem., 283, 2008
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5DE3
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![BU of 5de3 by Molmil](/molmil-images/mine/5de3) | |
6TVL
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![BU of 6tvl by Molmil](/molmil-images/mine/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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