8F99
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![BU of 8f99 by Molmil](/molmil-images/mine/8f99) | Compound 10 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9A
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![BU of 8f9a by Molmil](/molmil-images/mine/8f9a) | Compound 11 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9B
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![BU of 8f9b by Molmil](/molmil-images/mine/8f9b) | Compound 19 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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4DGH
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![BU of 4dgh by Molmil](/molmil-images/mine/4dgh) | Structure of SulP Transporter STAS Domain from Vibrio Cholerae Refined to 1.9 Angstrom Resolution | Descriptor: | GLYCEROL, IODIDE ION, POTASSIUM ION, ... | Authors: | Keller, J.P, Chang, C, Marshall, N, Bearden, J, Dallos, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-01-25 | Release date: | 2012-02-08 | Last modified: | 2012-02-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of SulP Transporter STAS Domain from Vibrio Cholerae Refined to 1.9 Angstrom Resolution To be Published
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8F9C
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![BU of 8f9c by Molmil](/molmil-images/mine/8f9c) | Compound 20 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9D
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![BU of 8f9d by Molmil](/molmil-images/mine/8f9d) | Compound 21 bound to procaspase-6 | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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6F87
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![BU of 6f87 by Molmil](/molmil-images/mine/6f87) | Crystal structure of P. abyssi Sua5 complexed with L-threonine and PPi | Descriptor: | PYROPHOSPHATE 2-, THREONINE, Threonylcarbamoyl-AMP synthase | Authors: | Pichard-Kostuch, A, Zhang, W, Liger, D, Daugeron, M.C, Letoquart, J, Li de la Sierra-Gallay, I, Forterre, P, Collinet, B, van Tilbeurgh, H, Basta, T. | Deposit date: | 2017-12-12 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure-function analysis of Sua5 protein reveals novel functional motifs required for the biosynthesis of the universal t6A tRNA modification. RNA, 24, 2018
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5N65
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![BU of 5n65 by Molmil](/molmil-images/mine/5n65) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9h | Descriptor: | 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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1IBM
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![BU of 1ibm by Molmil](/molmil-images/mine/1ibm) | STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH A MESSENGER RNA FRAGMENT AND COGNATE TRANSFER RNA ANTICODON STEM-LOOP BOUND AT THE A SITE | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Ogle, J.M, Brodersen, D.E, Clemons Jr, W.M, Tarry, M.J, Carter, A.P, Ramakrishnan, V. | Deposit date: | 2001-03-28 | Release date: | 2001-05-04 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Recognition of cognate transfer RNA by the 30S ribosomal subunit. Science, 292, 2001
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8FBV
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![BU of 8fbv by Molmil](/molmil-images/mine/8fbv) | Compound 7 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-30 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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5FNU
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![BU of 5fnu by Molmil](/molmil-images/mine/5fnu) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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8APQ
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![BU of 8apq by Molmil](/molmil-images/mine/8apq) | CaMct - Mesaconyl-CoA C1:C4 CoA Transferase of Chloroflexus aurantiacus | Descriptor: | (2E)-2-METHYLBUT-2-ENEDIOIC ACID, 2-methylfumaryl-CoA isomerase, COENZYME A, ... | Authors: | Pfister, P, Zarzycki, J, Erb, T.J. | Deposit date: | 2022-08-10 | Release date: | 2023-01-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural Basis for a Cork-Up Mechanism of the Intra-Molecular Mesaconyl-CoA Transferase. Biochemistry, 62, 2023
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8F98
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![BU of 8f98 by Molmil](/molmil-images/mine/8f98) | Compound 8 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F96
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![BU of 8f96 by Molmil](/molmil-images/mine/8f96) | Compound 3 bound to procaspase-6 | Descriptor: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | Deposit date: | 2022-11-23 | Release date: | 2023-12-13 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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4MUM
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![BU of 4mum by Molmil](/molmil-images/mine/4mum) | |
8U4Z
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![BU of 8u4z by Molmil](/molmil-images/mine/8u4z) | |
6SM1
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![BU of 6sm1 by Molmil](/molmil-images/mine/6sm1) | Wild type immunoglobulin light chain (WT-1) | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Immunoglobulin lambda variable 2-14, ... | Authors: | Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J. | Deposit date: | 2019-08-21 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation. Elife, 9, 2020
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8FCH
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![BU of 8fch by Molmil](/molmil-images/mine/8fch) | Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R. | Deposit date: | 2022-12-01 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | Apo structure of (N1G37) Methyltransferase from Mycobacterium avium. To Be Published
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5FSJ
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![BU of 5fsj by Molmil](/molmil-images/mine/5fsj) | Structure of thermolysin prepared by the 'soak-and-freeze' method under 45 bar of oxygen pressure | Descriptor: | CALCIUM ION, LYSINE, OXYGEN MOLECULE, ... | Authors: | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | Deposit date: | 2016-01-06 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology. J.Appl.Crystallogr., 49, 2016
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1C4W
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![BU of 1c4w by Molmil](/molmil-images/mine/1c4w) | 1.9 A STRUCTURE OF A-THIOPHOSPHONATE MODIFIED CHEY D57C | Descriptor: | CHEMOTAXIS PROTEIN CHEY | Authors: | Halkides, C.J, McEvoy, M.M, Matsumura, P, Volz, K, Dahlquist, F.W. | Deposit date: | 1999-09-28 | Release date: | 2000-05-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The 1.9 A resolution crystal structure of phosphono-CheY, an analogue of the active form of the response regulator, CheY. Biochemistry, 39, 2000
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5N64
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![BU of 5n64 by Molmil](/molmil-images/mine/5n64) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g | Descriptor: | 2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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8R10
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![BU of 8r10 by Molmil](/molmil-images/mine/8r10) | |
8R1N
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![BU of 8r1n by Molmil](/molmil-images/mine/8r1n) | |
8R1P
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![BU of 8r1p by Molmil](/molmil-images/mine/8r1p) | |
3D9F
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![BU of 3d9f by Molmil](/molmil-images/mine/3d9f) | Nitroalkane oxidase: active site mutant S276A crystallized with 1-nitrohexane | Descriptor: | 1-nitrohexane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | Deposit date: | 2008-05-27 | Release date: | 2009-04-07 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of intermediates in the nitroalkane oxidase reaction. Biochemistry, 48, 2009
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