8A12
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a12 by Molmil](/molmil-images/mine/8a12) | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Moussaoui, D, Robblee, J.P, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Robert-Paganin, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2022-05-31 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun, 14, 2023
|
|
6WDX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wdx by Molmil](/molmil-images/mine/6wdx) | |
8A5B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a5b by Molmil](/molmil-images/mine/8a5b) | Crystal structure of human cathepsin L in complex with covalently bound MG-101 | Descriptor: | Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-06-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
|
|
1T60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t60 by Molmil](/molmil-images/mine/1t60) | Crystal structure of Type IV collagen NC1 domain from bovine lens capsule | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Vanacore, R.M, Shanmugasundararaj, S, Friedman, D.B, Bondar, O, Hudson, B.G, Sundaramoorthy, M. | Deposit date: | 2004-05-05 | Release date: | 2004-09-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The alpha1.alpha2 network of collagen IV. Reinforced stabilization of the noncollagenous domain-1 by noncovalent forces and the absence of Met-Lys cross-links J.Biol.Chem., 279, 2004
|
|
5KXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kxk by Molmil](/molmil-images/mine/5kxk) | Hen Egg White Lysozyme at 100K, Data set 1 | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-20 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.198 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
|
|
2ID2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2id2 by Molmil](/molmil-images/mine/2id2) | GAPN T244S mutant X-ray structure at 2.5 A | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | Authors: | Pailot, A, D'Ambrosio, K, Corbier, C, Talfournier, F, Branlant, G. | Deposit date: | 2006-09-14 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Invariant Thr(244) is essential for the efficient acylation step of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase from Streptococcus mutans. Biochem.J., 400, 2006
|
|
7ZL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zl8 by Molmil](/molmil-images/mine/7zl8) | NME1 in complex with succinyl-CoA | Descriptor: | Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | Deposit date: | 2022-04-14 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
|
|
7ZTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ztk by Molmil](/molmil-images/mine/7ztk) | NME1 in complex with CoA | Descriptor: | COENZYME A, Nucleoside diphosphate kinase A | Authors: | Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. | Deposit date: | 2022-05-10 | Release date: | 2023-08-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
|
|
2J79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j79 by Molmil](/molmil-images/mine/2j79) | Beta-glucosidase from Thermotoga maritima in complex with galacto- hydroximolactam | Descriptor: | (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
|
|
5KJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kjb by Molmil](/molmil-images/mine/5kjb) | |
1TJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tjv by Molmil](/molmil-images/mine/1tjv) | Crystal Structure of T161D Duck Delta 2 Crystallin Mutant | Descriptor: | Delta crystallin II | Authors: | Sampaleanu, L.M, Codding, P.W, Lobsanov, Y.D, Tsai, M, Smith, G.D, Horvatin, C, Howell, P.L. | Deposit date: | 2004-06-07 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis BIOCHEM.J., 384, 2004
|
|
1TJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tju by Molmil](/molmil-images/mine/1tju) | Crystal Structure of T161S Duck Delta 2 Crystallin Mutant | Descriptor: | Delta crystallin II | Authors: | Sampaleanu, L.M, Codding, P.W, Lobsanov, Y.D, Tsai, M, Smith, G.D, Horvatin, C, Howell, P.L. | Deposit date: | 2004-06-07 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis Biochem.J., 384, 2004
|
|
1T13
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t13 by Molmil](/molmil-images/mine/1t13) | Crystal Structure Of Lumazine Synthase From Brucella Abortus Bound To 5-nitro-6-(D-ribitylamino)-2,4(1H,3H) pyrimidinedione | Descriptor: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Klinke, S, Zylberman, V, Vega, D.R, Guimaraes, B.G, Braden, B.C, Goldbaum, F.A. | Deposit date: | 2004-04-15 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystallographic studies on Decameric Brucella spp. Lumazine Synthase: A Novel Quaternary Arrangement Evolved for a New Function? J.Mol.Biol., 353, 2005
|
|
2IJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ijq by Molmil](/molmil-images/mine/2ijq) | Crystal structure of protein rrnAC1037 from Haloarcula marismortui, Pfam DUF309 | Descriptor: | Hypothetical protein | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-09-30 | Release date: | 2006-10-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of the hypothetical Protein from Haloarcula marismortui To be Published
|
|
7ZRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zri by Molmil](/molmil-images/mine/7zri) | Cryo-EM structure of the KdpFABC complex in a nucleotide-free E1 conformation loaded with K+ | Descriptor: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
|
|
6PFW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pfw by Molmil](/molmil-images/mine/6pfw) | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, apo state | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | Deposit date: | 2019-06-22 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
|
|
4R5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r5j by Molmil](/molmil-images/mine/4r5j) | Crystal structure of the DnaK C-terminus (Dnak-SBD-A) | Descriptor: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | Deposit date: | 2014-08-21 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.361 Å) | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket. Acs Chem.Biol., 9, 2014
|
|
2V8S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v8s by Molmil](/molmil-images/mine/2v8s) | VTI1B HABC DOMAIN - EPSINR ENTH DOMAIN COMPLEX | Descriptor: | CLATHRIN INTERACTOR 1, GLYCEROL, VESICLE TRANSPORT THROUGH INTERACTION WITH T-SNARES HOMOLOG 1B | Authors: | Owen, D.J, McCoy, A.J, Collins, B.M, Miller, S.E. | Deposit date: | 2007-08-14 | Release date: | 2007-11-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A Snare-Adaptor Interaction is a New Mode of Cargo Recognition in Clathrin Coated Vesicles Nature, 450, 2007
|
|
8A31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a31 by Molmil](/molmil-images/mine/8a31) | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 | Descriptor: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-06-06 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C. Acs Pharmacol Transl Sci, 5, 2022
|
|
6PGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pgv by Molmil](/molmil-images/mine/6pgv) | |
8A32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a32 by Molmil](/molmil-images/mine/8a32) | p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 | Descriptor: | 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ... | Authors: | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-06-06 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C. Acs Pharmacol Transl Sci, 5, 2022
|
|
2VHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vhz by Molmil](/molmil-images/mine/2vhz) | |
6PHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6phs by Molmil](/molmil-images/mine/6phs) | Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, vanadate bound state | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | Deposit date: | 2019-06-25 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.129 Å) | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
|
|
8I5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i5e by Molmil](/molmil-images/mine/8i5e) | Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK) | Descriptor: | Beta-2-microglobulin, KRAS-G12wt-9, MHC class I antigen (Fragment) | Authors: | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | Deposit date: | 2023-01-25 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Nat Commun, 2023
|
|
5D2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d2w by Molmil](/molmil-images/mine/5d2w) | |