3D4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d4v by Molmil](/molmil-images/mine/3d4v) | Crystal Structure of an AlkA Host/Guest Complex N7MethylGuanine:Cytosine Base Pair | Descriptor: | 5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(FMG)P*DTP*DGP*DCP*DC)-3', 5'-D(*DGP*DGP*DCP*DAP*DCP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3', DNA-3-methyladenine glycosylase 2 | Authors: | Lee, S, Bowman, B.R, Wang, S, Verdine, G.L. | Deposit date: | 2008-05-15 | Release date: | 2008-09-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Synthesis and structure of duplex DNA containing the genotoxic nucleobase lesion N7-methylguanine. J.Am.Chem.Soc., 130, 2008
|
|
3CKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cke by Molmil](/molmil-images/mine/3cke) | Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ... | Authors: | Shishova, E.Y, Yu, F, Miller, D.J, Faraldos, J.A, Zhao, Y, Coates, R.M, Allemann, R.K, Cane, D.E, Christianson, D.W. | Deposit date: | 2008-03-14 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis. J.Biol.Chem., 283, 2008
|
|
6V8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v8b by Molmil](/molmil-images/mine/6v8b) | |
3CMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cmh by Molmil](/molmil-images/mine/3cmh) | SYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST | Descriptor: | PROTEIN (ENDOTHELIN-1) | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | Deposit date: | 1998-09-03 | Release date: | 1999-09-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling. J.Pept.Res., 53, 1999
|
|
3COD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cod by Molmil](/molmil-images/mine/3cod) | Crystal Structure of T90A/D115A mutant of Bacteriorhodopsin | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Joh, N.H, Min, A, Faham, S, Bowie, J.U. | Deposit date: | 2008-03-27 | Release date: | 2008-04-08 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Modest stabilization by most hydrogen-bonded side-chain interactions in membrane proteins. Nature, 453, 2008
|
|
3CNA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cna by Molmil](/molmil-images/mine/3cna) | |
3DAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dap by Molmil](/molmil-images/mine/3dap) | C. GLUTAMICUM DAP DEHYDROGENASE IN COMPLEX WITH NADP+ AND THE INHIBITOR 5S-ISOXAZOLINE | Descriptor: | (2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID, DIAMINOPIMELIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Scapin, G, Cirilli, M, Reddy, S.G, Gao, Y, Vederas, J.C, Blanchard, J.S. | Deposit date: | 1997-12-29 | Release date: | 1998-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate and inhibitor binding sites in Corynebacterium glutamicum diaminopimelate dehydrogenase. Biochemistry, 37, 1998
|
|
6VGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vgu by Molmil](/molmil-images/mine/6vgu) | |
3FB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fb7 by Molmil](/molmil-images/mine/3fb7) | Open KcsA potassium channel in the presence of Rb+ ion | Descriptor: | RUBIDIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ... | Authors: | Cuello, L.G, Jogini, V, Cortes, D.M, Pan, A.C, Gagnon, D.H, Cordero-Morales, J.F, Chakrapani, S, Roux, B, Perozo, E. | Deposit date: | 2008-11-18 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Open KcsA potassium channel in the presence of Rb+ ion TO BE PUBLISHED
|
|
6UVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvc by Molmil](/molmil-images/mine/6uvc) | Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | Descriptor: | (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uve by Molmil](/molmil-images/mine/6uve) | Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | Descriptor: | (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1 | Authors: | Roy, M.J, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvd by Molmil](/molmil-images/mine/6uvd) | Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid | Descriptor: | (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvh by Molmil](/molmil-images/mine/6uvh) | Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid | Descriptor: | (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvf by Molmil](/molmil-images/mine/6uvf) | Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid | Descriptor: | (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
6UVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uvg by Molmil](/molmil-images/mine/6uvg) | Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid | Descriptor: | (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
|
|
3FBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fbw by Molmil](/molmil-images/mine/3fbw) | Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant C176Y | Descriptor: | BENZOIC ACID, CHLORIDE ION, Haloalkane dehalogenase, ... | Authors: | Dohnalek, J, Stsiapanava, A, Gavira, J.A, Kuta Smatanova, I, Kuty, M. | Deposit date: | 2008-11-20 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels. Acta Crystallogr.,Sect.D, 66, 2010
|
|
3FH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fh5 by Molmil](/molmil-images/mine/3fh5) | |
3FFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ffi by Molmil](/molmil-images/mine/3ffi) | HIV-1 RT with pyridone non-nucleoside inhibitor | Descriptor: | 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile, RT p51, Reverse transcriptase/ribonuclease H | Authors: | Harris, S.F, Villasenor, A. | Deposit date: | 2008-12-03 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pyridone Diaryl Ether Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase To be Published
|
|
3FH8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fh8 by Molmil](/molmil-images/mine/3fh8) | |
6VJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vjk by Molmil](/molmil-images/mine/6vjk) | Streptavidin mutant M88 (N49C/A86C) | Descriptor: | BIOTIN, Streptavidin | Authors: | Marangoni, J.M, Wu, S.C, Fogen, D, Wong, S.L, Ng, K.K.S. | Deposit date: | 2020-01-16 | Release date: | 2020-12-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity. Sci Rep, 10, 2020
|
|
6VP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vp1 by Molmil](/molmil-images/mine/6vp1) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
|
|
6VJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vja by Molmil](/molmil-images/mine/6vja) | Structure of CD20 in complex with rituximab Fab | Descriptor: | B-lymphocyte antigen CD20, CHOLESTEROL HEMISUCCINATE, Rituximab Fab heavy chain, ... | Authors: | Rohou, A, Croll, T.I. | Deposit date: | 2020-01-15 | Release date: | 2020-02-26 | Last modified: | 2020-03-25 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of CD20 in complex with the therapeutic monoclonal antibody rituximab. Science, 367, 2020
|
|
6VQJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vqj by Molmil](/molmil-images/mine/6vqj) | |
6VJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vjz by Molmil](/molmil-images/mine/6vjz) | CryoEM structure of Hrd1-Usa1/Der1/Hrd3 complex of the expected topology | Descriptor: | Degradation in the endoplasmic reticulum protein 1, ERAD-associated E3 ubiquitin-protein ligase HRD1, ERAD-associated E3 ubiquitin-protein ligase component HRD3, ... | Authors: | Wu, X, Rapoport, T.A. | Deposit date: | 2020-01-18 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex. Science, 368, 2020
|
|
6VP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vp2 by Molmil](/molmil-images/mine/6vp2) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, AZIDE ION, Streptavidin, ... | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
|
|