5M02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m02 by Molmil](/molmil-images/mine/5m02) | |
2MXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mxo by Molmil](/molmil-images/mine/2mxo) | |
7Z6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z6z by Molmil](/molmil-images/mine/7z6z) | |
2IL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2il2 by Molmil](/molmil-images/mine/2il2) | Crystal Structure of Human Renin Complexed with Inhibitor | Descriptor: | CITRIC ACID, N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE, Renin | Authors: | Mochalkin, I. | Deposit date: | 2006-10-02 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Anal.Biochem., 360, 2007
|
|
5XED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xed by Molmil](/molmil-images/mine/5xed) | Heterodimer constructed from M61A PA cyt c551-HT cyt c552 and HT cyt c552-PA cyt c551 chimeric proteins | Descriptor: | Cytochrome c-551,Cytochrome c-552, Cytochrome c-552,Cytochrome c-551, HEME C | Authors: | Zhang, M, Nakanishi, T, Yamanaka, M, Nagao, S, Yanagisawa, S, Shomura, Y, Shibata, N, Ogura, T, Higuchi, Y, Hirota, S. | Deposit date: | 2017-04-04 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Rational Design of Domain-Swapping-Based c-Type Cytochrome Heterodimers by Using Chimeric Proteins. Chembiochem, 18, 2017
|
|
7Z70
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z70 by Molmil](/molmil-images/mine/7z70) | |
5M2G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m2g by Molmil](/molmil-images/mine/5m2g) | PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-tribromophenol | Descriptor: | 2,4,6-TRIBROMOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-12 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
|
|
1ASQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1asq by Molmil](/molmil-images/mine/1asq) | X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, AZIDE ION, ... | Authors: | Messerschmidt, A, Luecke, H, Huber, R. | Deposit date: | 1992-11-25 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms. J.Mol.Biol., 230, 1993
|
|
2MUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mus by Molmil](/molmil-images/mine/2mus) | HADDOCK calculated model of LIN5001 bound to the HET-s amyloid | Descriptor: | 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s | Authors: | Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A. | Deposit date: | 2014-09-16 | Release date: | 2017-02-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure-based drug design identifies polythiophenes as antiprion compounds. Sci Transl Med, 7, 2015
|
|
5XE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xe0 by Molmil](/molmil-images/mine/5xe0) | Crystal structure of EV-D68-3Dpol in complex with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Genome polyprotein | Authors: | Xie, W, Wang, C, Wang, Z, Li, Q, Wang, C. | Deposit date: | 2017-03-30 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure and Thermostability Characterization of Enterovirus D68 3Dpol J. Virol., 91, 2017
|
|
7YZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yzx by Molmil](/molmil-images/mine/7yzx) | ScpA from Streptococcus pyogenes, D783A mutant. | Descriptor: | C5a peptidase, CALCIUM ION, MALONIC ACID, ... | Authors: | Kagawa, T.F, Cooney, J.C, Jain, M. | Deposit date: | 2022-02-21 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity. Data Brief, 46, 2023
|
|
5X8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x8m by Molmil](/molmil-images/mine/5x8m) | PD-L1 in complex with durvalumab | Descriptor: | Programmed cell death 1 ligand 1, durvalumab heavy chain, durvalumab light chain | Authors: | Heo, Y.S, Lee, H.T. | Deposit date: | 2017-03-03 | Release date: | 2017-08-16 | Method: | X-RAY DIFFRACTION (2.661 Å) | Cite: | Molecular mechanism of PD-1/PD-L1 blockade via anti-PD-L1 antibodies atezolizumab and durvalumab Sci Rep, 7, 2017
|
|
5LJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ljy by Molmil](/molmil-images/mine/5ljy) | Structure of hantavirus envelope glycoprotein Gc in complex with scFv A5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT HEXAMMINE(III), Envelopment polyprotein, ... | Authors: | Guardado-Calvo, P, Stettner, E, Jeffers, S.A, Rey, F.A. | Deposit date: | 2016-07-20 | Release date: | 2016-09-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc. Plos Pathog., 12, 2016
|
|
2I2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i2w by Molmil](/molmil-images/mine/2i2w) | Crystal Structure of Escherichia Coli Phosphoheptose Isomerase | Descriptor: | GLYCEROL, Phosphoheptose isomerase | Authors: | DeLeon, G, Blakely, K, Zhang, K, Wright, G, Junop, M. | Deposit date: | 2006-08-17 | Release date: | 2007-08-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants J.Biol.Chem., 283, 2008
|
|
5LJL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ljl by Molmil](/molmil-images/mine/5ljl) | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | Descriptor: | Flavodoxin, PHOSPHATE ION | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | Deposit date: | 2016-07-18 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target. Plos One, 11, 2016
|
|
8CAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8caa by Molmil](/molmil-images/mine/8caa) | Crystal structure of TEAD4 in complex with YTP-13 | Descriptor: | (2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid, 4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide, PHOSPHATE ION, ... | Authors: | Scheufler, C, Kallen, J. | Deposit date: | 2023-01-24 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Optimization of a Class of Dihydrobenzofurane Analogs toward Orally Efficacious YAP-TEAD Protein-Protein Interaction Inhibitors. Chemmedchem, 18, 2023
|
|
6XDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xds by Molmil](/molmil-images/mine/6xds) | |
8CCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cca by Molmil](/molmil-images/mine/8cca) | The Fk1 domain of FKBP51 in complex with SAFit1 | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
|
|
2N6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n6b by Molmil](/molmil-images/mine/2n6b) | |
8CCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ccd by Molmil](/molmil-images/mine/8ccd) | The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
|
|
6A4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6a4k by Molmil](/molmil-images/mine/6a4k) | Human antibody 32D6 Fab in complex with H1N1 influenza A virus HA1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | Deposit date: | 2018-06-20 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | An Effective Neutralizing Antibody Against Influenza Virus H1N1 from Human B Cells. Sci Rep, 9, 2019
|
|
8CCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ccb by Molmil](/molmil-images/mine/8ccb) | The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-(5-chlorothiophen-2-yl)-2-cyclohexylacetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
|
|
1B3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b3n by Molmil](/molmil-images/mine/1b3n) | BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN. | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2) | Authors: | Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y. | Deposit date: | 1998-12-14 | Release date: | 1999-04-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase. J.Biol.Chem., 274, 1999
|
|
8C0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c0c by Molmil](/molmil-images/mine/8c0c) | X-ray crystal structure of PPAR gamma ligand binding domain in complex with CZ46 | Descriptor: | (2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one, Peroxisome proliferator-activated receptor gamma | Authors: | Capelli, D, Montanari, R, Pochetti, G, Villa, S, Meneghetti, F. | Deposit date: | 2022-12-16 | Release date: | 2023-04-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Biological Screening and Crystallographic Studies of Hydroxy gamma-Lactone Derivatives to Investigate PPAR gamma Phosphorylation Inhibition. Biomolecules, 13, 2023
|
|
8CCF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ccf by Molmil](/molmil-images/mine/8ccf) | The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)pent-4-enoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
|
|