6DGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dgq by Molmil](/molmil-images/mine/6dgq) | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10506 | Descriptor: | N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide, Peroxisome proliferator-activated receptor gamma | Authors: | Shang, J, Kojetin, D.J. | Deposit date: | 2018-05-17 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Quantitative structural assessment of graded receptor agonism. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
1EIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1eij by Molmil](/molmil-images/mine/1eij) | NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615 | Descriptor: | HYPOTHETICAL PROTEIN MTH1615 | Authors: | Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2000-02-25 | Release date: | 2000-11-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural proteomics of an archaeon. Nat.Struct.Biol., 7, 2000
|
|
1ELX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1elx by Molmil](/molmil-images/mine/1elx) | E. COLI ALKALINE PHOSPHATASE MUTANT (S102A) | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | Deposit date: | 1998-02-10 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102. J.Mol.Biol., 277, 1998
|
|
1F37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f37 by Molmil](/molmil-images/mine/1f37) | STRUCTURE OF A THIOREDOXIN-LIKE [2FE-2S] FERREDOXIN FROM AQUIFEX AEOLICUS | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S], GLYCEROL | Authors: | Yeh, A.P, Chatelet, C, Soltis, S.M, Kuhn, P, Meyer, J, Rees, D.C. | Deposit date: | 2000-05-31 | Release date: | 2000-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus. J.Mol.Biol., 300, 2000
|
|
1FJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fj8 by Molmil](/molmil-images/mine/1fj8) | THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I | Authors: | Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. | Deposit date: | 2000-08-07 | Release date: | 2000-08-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism. J.Biol.Chem., 276, 2001
|
|
1F9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f9o by Molmil](/molmil-images/mine/1f9o) | Crystal structure of the cellulase Cel48F from C. Cellulolyticum with the thiooligosaccharide inhibitor PIPS-IG3 | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-iodophenyl 1,4-dithio-beta-D-glucopyranoside | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | Deposit date: | 2000-07-11 | Release date: | 2000-08-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action Biochemistry, 39, 2000
|
|
1FSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fsa by Molmil](/molmil-images/mine/1fsa) | THE T-STATE STRUCTURE OF LYS 42 TO ALA MUTANT OF THE PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE, ... | Authors: | Lu, G, Stec, B, Giroux, E, Kantrowitz, E.R. | Deposit date: | 1996-08-24 | Release date: | 1997-09-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evidence for an active T-state pig kidney fructose 1,6-bisphosphatase: interface residue Lys-42 is important for allosteric inhibition and AMP cooperativity. Protein Sci., 5, 1996
|
|
1FJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fj4 by Molmil](/molmil-images/mine/1fj4) | THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH THIOLACTOMYCIN, IMPLICATIONS FOR DRUG DESIGN | Descriptor: | BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I, THIOLACTOMYCIN | Authors: | Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. | Deposit date: | 2000-08-07 | Release date: | 2000-08-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism. J.Biol.Chem., 276, 2001
|
|
1F9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f9d by Molmil](/molmil-images/mine/1f9d) | Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellotetraose | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | Deposit date: | 2000-07-10 | Release date: | 2000-08-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action Biochemistry, 39, 2000
|
|
1FSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fsg by Molmil](/molmil-images/mine/1fsg) | TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH 9-DEAZAGUANINE, ALPHA-D-5-PHOSPHORIBOSYL-1-PYROPHOSPHATE (PRPP) AND TWO MG2+ IONS | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAGUANINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ... | Authors: | Heroux, A, White, E.L, Ross, L.J, Kuzin, A.P, Borhani, D.W. | Deposit date: | 2000-09-08 | Release date: | 2000-12-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Substrate deformation in a hypoxanthine-guanine phosphoribosyltransferase ternary complex: the structural basis for catalysis. Structure Fold.Des., 8, 2000
|
|
6ETB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6etb by Molmil](/molmil-images/mine/6etb) | Aerobic S262Y mutation of E. coli FLRD core | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Borges, P.T, Romao, C.V, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2017-10-26 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | A tyrosine mutation in E. coli flavodiiron protein increases radiation sensitivity in the crystal structure To Be Published
|
|
1GJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gjz by Molmil](/molmil-images/mine/1gjz) | |
1G3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g3o by Molmil](/molmil-images/mine/1g3o) | CRYSTAL STRUCTURE OF V19E MUTANT OF FERREDOXIN I | Descriptor: | 7FE FERREDOXIN I, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Stout, C.D, Burgess, B.K, Bonagura, C.A, Jung, Y.S. | Deposit date: | 2000-10-24 | Release date: | 2000-11-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Azotobacter vinelandii ferredoxin I: a sequence and structure comparison approach to alteration of [4Fe-4S]2+/+ reduction potential J.Biol.Chem., 277, 2002
|
|
6EZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ezf by Molmil](/molmil-images/mine/6ezf) | PDE2 in complex with molecule 5 | Descriptor: | 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol, GLYCEROL, MAGNESIUM ION, ... | Authors: | Tresadern, G, Perez-Benito, L, Keraenen, H, van Vlijmen, H. | Deposit date: | 2017-11-15 | Release date: | 2018-04-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation. Sci Rep, 8, 2018
|
|
1FUN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fun by Molmil](/molmil-images/mine/1fun) | SUPEROXIDE DISMUTASE MUTANT WITH LYS 136 REPLACED BY GLU, CYS 6 REPLACED BY ALA AND CYS 111 REPLACED BY SER (K136E, C6A, C111S) | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE, ... | Authors: | Lo, T.P, Tainer, J.A, Getzoff, E.D. | Deposit date: | 1998-07-23 | Release date: | 1999-07-23 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Computational, pulse-radiolytic, and structural investigations of lysine-136 and its role in the electrostatic triad of human Cu,Zn superoxide dismutase. Proteins, 29, 1997
|
|
8P8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p8e by Molmil](/molmil-images/mine/8p8e) | |
1G4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g4b by Molmil](/molmil-images/mine/1g4b) | CRYSTAL STRUCTURES OF THE HSLVU PEPTIDASE-ATPASE COMPLEX REVEAL AN ATP-DEPENDENT PROTEOLYSIS MECHANISM | Descriptor: | ATP-DEPENDENT HSL PROTEASE ATP-BINDING SUBUNIT HSLU, ATP-DEPENDENT PROTEASE HSLV | Authors: | Wang, J, Song, J.J, Franklin, M.C, Kamtekar, S, Im, Y.J, Rho, S.H, Seong, I.S, Lee, C.S, Chung, C.H, Eom, S.H. | Deposit date: | 2000-10-26 | Release date: | 2001-02-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (7 Å) | Cite: | Crystal structures of the HslVU peptidase-ATPase complex reveal an ATP-dependent proteolysis mechanism. Structure, 9, 2001
|
|
1G6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g6b by Molmil](/molmil-images/mine/1g6b) | CRYSTAL STRUCTURE OF P47S MUTANT OF FERREDOXIN I | Descriptor: | 7FE FERREDOXIN I, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Stout, C.D, Burgess, B.K, Bonagura, C.A, Jung, Y.S. | Deposit date: | 2000-11-03 | Release date: | 2000-11-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Azotobacter vinelandii ferredoxin I: a sequence and structure comparison approach to alteration of [4Fe-4S]2+/+ reduction potential. J.Biol.Chem., 277, 2002
|
|
1G2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g2w by Molmil](/molmil-images/mine/1g2w) | E177S MUTANT OF THE PYRIDOXAL-5'-PHOSPHATE ENZYME D-AMINO ACID AMINOTRANSFERASE | Descriptor: | ACETATE ION, D-ALANINE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Lepore, B.W, Ringe, D. | Deposit date: | 2000-10-21 | Release date: | 2000-11-15 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Studies on an Active Site Residue, E177, That Affects Binding of the Coenzyme in D-Amino Acid Transaminase, and Mechanistic Studies on a Suicide Substrate Biochemistry and Molecular Biology of Vitamin B6 and PQQ-dependent Proteins, 10th Annual International Symposium on Vitamin B6, 2000
|
|
1G35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g35 by Molmil](/molmil-images/mine/1g35) | CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024 | Descriptor: | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2000-10-23 | Release date: | 2001-06-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J.Med.Chem., 44, 2001
|
|
6FYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fyk by Molmil](/molmil-images/mine/6fyk) | X-Ray structure of CLK2-KD(136-496)/Indazole1 at 2.39A | Descriptor: | (2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine, Dual specificity protein kinase CLK2 | Authors: | Kallen, J. | Deposit date: | 2018-03-12 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
|
|
1G2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g2k by Molmil](/molmil-images/mine/1g2k) | HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047 | Descriptor: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN | Authors: | Lindberg, J, Unge, T. | Deposit date: | 2000-10-20 | Release date: | 2001-06-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J.Med.Chem., 44, 2001
|
|
1GGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ggo by Molmil](/molmil-images/mine/1ggo) | T453A MUTANT OF PYRUVATE, PHOSPHATE DIKINASE | Descriptor: | PROTEIN (PYRUVATE, PHOSPHATE DIKINASE), SULFATE ION | Authors: | Li, Z, Herzberg, O. | Deposit date: | 2000-08-29 | Release date: | 2001-01-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of domain-domain docking sites within Clostridium symbiosum pyruvate phosphate dikinase by amino acid replacement. J.Biol.Chem., 275, 2000
|
|
1FWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fwa by Molmil](/molmil-images/mine/1fwa) | |
1GH9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gh9 by Molmil](/molmil-images/mine/1gh9) | |