1F6S
| CRYSTAL STRUCTURE OF BOVINE ALPHA-LACTALBUMIN | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | Authors: | Chrysina, E.D, Brew, K, Acharya, K.R. | Deposit date: | 2000-06-23 | Release date: | 2000-12-13 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of apo- and holo-bovine alpha-lactalbumin at 2. 2-A resolution reveal an effect of calcium on inter-lobe interactions. J.Biol.Chem., 275, 2000
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1TLU
| Crystal Structure of Thermotoga maritima S-adenosylmethionine decarboxylase | Descriptor: | S-adenosylmethionine decarboxylase proenzyme, AdoMetDC, SamDC | Authors: | Toms, A.V, Kinsland, C, McCloskey, D.E, Pegg, A.E, Ealick, S.E. | Deposit date: | 2004-06-09 | Release date: | 2004-06-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Evolutionary Links as Revealed by the Structure of Thermotoga maritima S-Adenosylmethionine Decarboxylase. J.Biol.Chem., 279, 2004
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1TMI
| Structure of Thermotoga maritima S63A non-processing mutant S-adenosylmethionine decarboxylase | Descriptor: | S-adenosylmethionine decarboxylase proenzyme, AdoMetDC, SamDC | Authors: | Toms, A.V, Kinsland, C, McCloskey, D.E, Pegg, A.E, Ealick, S.E. | Deposit date: | 2004-06-10 | Release date: | 2004-06-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolutionary Links as Revealed by the Structure of Thermotoga maritima S-Adenosylmethionine Decarboxylase. J.Biol.Chem., 279, 2004
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6DAR
| Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | Descriptor: | DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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6DAS
| Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | Descriptor: | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5 | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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6DAK
| Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | Descriptor: | DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5 | Authors: | Phan, J, Fesik, S.W. | Deposit date: | 2018-05-01 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
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4I4B
| HMG-CoA Reductase from Pseudomonas mevalonii complexed with NAD and intermediate hemiacetal form of HMG-CoA | Descriptor: | (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, ... | Authors: | Stauffacher, C.V, Steussy, C.N, Critchelow, C.J, Schmidt, T, Min, J, Wrensford, L.V, Burgner, J.W, Rodwell, V.W. | Deposit date: | 2012-11-27 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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4I56
| HMG-CoA reductase from pseudomonas mevalonii complexed with dithio-HMG-coa | Descriptor: | (3S,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ... | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Crichelow, C.J, Rodwell, V.W, Wrensford, L.V, Min, J, Burgner II, J.W. | Deposit date: | 2012-11-28 | Release date: | 2013-07-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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6DYX
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6AHO
| Crystal structure of Kap114p | Descriptor: | Importin subunit beta-5 | Authors: | Liao, C.C, Shankar, S, Ahmed, G.R, Hsia, K.C. | Deposit date: | 2018-08-20 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Karyopherin Kap114p-mediated trans-repression controls ribosomal gene expression under saline stress. Embo Rep., 21, 2020
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3LPB
| Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor | Descriptor: | N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M. | Deposit date: | 2010-02-05 | Release date: | 2010-04-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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2J4U
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8HHM
| Cryo-EM structure of the Cas12m2-crRNA-target DNA ternary complex intermediate state | Descriptor: | Cas12m2, DNA (36-MER), MAGNESIUM ION, ... | Authors: | Omura, N.S, Nakagawa, R, Wu, Y.W, Sudfeld, C, Warren, V.R, Hirano, H, Kusakizako, T, Kise, Y, Lebbink, H.G.J, Itoh, Y, Oost, V.D.J, Nureki, O. | Deposit date: | 2022-11-16 | Release date: | 2023-04-12 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Mechanistic and evolutionary insights into a type V-M CRISPR-Cas effector enzyme. Nat.Struct.Mol.Biol., 30, 2023
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6WC2
| Crystal Structure of a Ternary MEF2 Chimera/NKX2-5/myocardin enhancer DNA Complex | Descriptor: | Homeobox protein Nkx-2.5, MEF2 Chimera,Myocyte-specific enhancer factor 2B,Myocyte-specific enhancer factor 2A, Myocardin Enhancer DNA | Authors: | Lei, X, Chen, L. | Deposit date: | 2020-03-29 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface. J.Mol.Biol., 432, 2020
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7C28
| Unusual quaternary structure of a homodimeric synergistic toxin from mamba snake venom | Descriptor: | SULFATE ION, Synergistic-type venom protein S2C4 | Authors: | Jobichen, C, Narumi, A, Sivaraman, J, Kini, R.M. | Deposit date: | 2020-05-07 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unusual quaternary structure of a homodimeric synergistic-type toxin from mamba snake venom defines its molecular evolution. Biochem.J., 477, 2020
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4FCR
| Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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3GMA
| Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum co-crystallized with glutaryl-CoA | Descriptor: | Glutaconyl-CoA decarboxylase subunit A, glutaryl-coenzyme A | Authors: | Kress, D, Brugel, D, Buckel, W, Essen, L.-O. | Deposit date: | 2009-03-13 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases J.Biol.Chem., 284, 2009
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7BQ6
| Crystal structure of Pennisetum glaucum monodehydroascorbate reductase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Sonkar, K.S, Arulandu, A, Achary, M.M, Reddy, M.K. | Deposit date: | 2020-03-24 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Biochemical and structural characterization of a robust and thermostable ascorbate recycling monodehydroascorbate reductase (MDHAR) from stress adapted pearl millet. Biochem.Biophys.Res.Commun., 662, 2023
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7BVI
| Crystal structure of Pennisetum glaucum monodehydroascorbate reductase | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pennisetum glaucum monodehydroascorbate reductase | Authors: | Sonkar, K.S, Arulandu, A, Achary, M.M, Reddy, M.K. | Deposit date: | 2020-04-10 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.391 Å) | Cite: | Biochemical and structural characterization of a robust and thermostable ascorbate recycling monodehydroascorbate reductase (MDHAR) from stress adapted pearl millet. Biochem.Biophys.Res.Commun., 662, 2023
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5E2S
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4I6Y
| 3-hydroxy-3-methyl (HMG) Coenzyme A Reductase bound to R-Mevalonate | Descriptor: | (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ... | Authors: | Steussy, C.N, Stauffacher, C.V, Schmidt, T, Burgner II, J.W, Rodwell, V.W, Wrensford, L.V, Critchelow, C.J, Min, J. | Deposit date: | 2012-11-30 | Release date: | 2013-07-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase. Biochemistry, 52, 2013
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4FCP
| Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | Descriptor: | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine | Authors: | Davies, N.G.M, Browne, H, Davies, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | Deposit date: | 2012-05-25 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20, 2012
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5E28
| Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor | Descriptor: | 4'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Supuran, C.T. | Deposit date: | 2015-09-30 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. J.Med.Chem., 59, 2016
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2GV7
| Structure of Matriptase in Complex with Inhibitor CJ-672 | Descriptor: | (S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE, Suppressor of tumorigenicity 14 | Authors: | Bode, W. | Deposit date: | 2006-05-02 | Release date: | 2006-06-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Secondary Amides of Sulfonylated 3-Amidinophenylalanine. New Potent and Selective Inhibitors of Matriptase. J.Med.Chem., 49, 2006
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2GV6
| Crystal Structure of Matriptase with Inhibitor CJ-730 | Descriptor: | (S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE, Suppressor of tumorigenicity 14 | Authors: | Bode, W. | Deposit date: | 2006-05-02 | Release date: | 2006-06-06 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Secondary Amides of Sulfonylated 3-Amidinophenylalanine. New Potent and Selective Inhibitors of Matriptase. J.Med.Chem., 49, 2006
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