3V45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v45 by Molmil](/molmil-images/mine/3v45) | Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 | Descriptor: | CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-14 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
|
|
3U26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u26 by Molmil](/molmil-images/mine/3u26) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48 | Descriptor: | PF00702 domain protein | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-11-23 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction. Acs Chem.Biol., 8, 2013
|
|
3UW6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uw6 by Molmil](/molmil-images/mine/3uw6) | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR120 | Descriptor: | Alanine racemase | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-11-30 | Release date: | 2012-02-08 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction. Acs Chem.Biol., 8, 2013
|
|
2FLD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fld by Molmil](/molmil-images/mine/2fld) | I-MsoI Re-Designed for Altered DNA Cleavage Specificity | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*CP*GP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*CP*TP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*CP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ... | Authors: | Ashworth, J, Duarte, C.M, Havranek, J.J, Sussman, D, Monnat, R.J, Stoddard, B.L, Baker, D. | Deposit date: | 2006-01-05 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational redesign of endonuclease DNA binding and cleavage specificity. Nature, 441, 2006
|
|
4QPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qpz by Molmil](/molmil-images/mine/4qpz) | Crystal structure of the formolase FLS_v2 in space group P 21 | Descriptor: | Formolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Shen, B.W, Siegel, J.B, Stoddard, B.L, Baker, D. | Deposit date: | 2014-06-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Computational protein design enables a novel one-carbon assimilation pathway. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
3VB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vb8 by Molmil](/molmil-images/mine/3vb8) | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR43 | Descriptor: | Engineered protein, SULFATE ION | Authors: | Seetharaman, J, Su, M, Procko, E, Baker, D, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-31 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Computational design of a protein-based enzyme inhibitor. J.Mol.Biol., 425, 2013
|
|
3VCD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vcd by Molmil](/molmil-images/mine/3vcd) | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32 | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2012-01-03 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
|
|
1YSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ysb by Molmil](/molmil-images/mine/1ysb) | Yeast Cytosine Deaminase Triple Mutant | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | Deposit date: | 2005-02-08 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational thermostabilization of an enzyme. Science, 308, 2005
|
|
4O9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o9r by Molmil](/molmil-images/mine/4o9r) | Human Smoothened Receptor structure in complex with cyclopamine | Descriptor: | Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein | Authors: | Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-01-02 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.204 Å) | Cite: | Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography. Nat Commun, 5, 2014
|
|
2LPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lpb by Molmil](/molmil-images/mine/2lpb) | Structure of the complex of the central activation domain of Gcn4 bound to the mediator co-activator domain 1 of Gal11/med15 | Descriptor: | General control protein GCN4, Mediator of RNA polymerase II transcription subunit 15 | Authors: | Brzovic, P.S, Heikaus, C.C, Kisselev, L, Vernon, R, Herbig, E, Pacheco, D, Warfield, L, Littlefield, P, Baker, D, Klevit, R.E, Hahn, S. | Deposit date: | 2012-02-07 | Release date: | 2012-02-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The acidic transcription activator Gcn4 binds the mediator subunit Gal11/Med15 using a simple protein interface forming a fuzzy complex. Mol.Cell, 44, 2011
|
|
7TY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ty7 by Molmil](/molmil-images/mine/7ty7) | Cryo-EM structure of human Anion Exchanger 1 bound to Bicarbonate | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, ... | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2022-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
|
|
7QUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qux by Molmil](/molmil-images/mine/7qux) | Crystal structure of P7C8 bound to CK2alpha | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ... | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2022-01-19 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
|
|
1YSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ysd by Molmil](/molmil-images/mine/1ysd) | Yeast Cytosine Deaminase Double Mutant | Descriptor: | CALCIUM ION, Cytosine deaminase, ZINC ION | Authors: | Korkegian, A, Black, M.E, Baker, D, Stoddard, B.L. | Deposit date: | 2005-02-08 | Release date: | 2005-05-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational thermostabilization of an enzyme. Science, 308, 2005
|
|
7ZC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zc8 by Molmil](/molmil-images/mine/7zc8) | |
7TY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ty6 by Molmil](/molmil-images/mine/7ty6) | Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatodihydrostilbene-2,2'-Disulfonic Acid (H2DIDS) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ... | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2022-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
|
|
7TY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ty4 by Molmil](/molmil-images/mine/7ty4) | Cryo-EM structure of human Anion Exchanger 1 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, ... | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2022-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
|
|
7TYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tya by Molmil](/molmil-images/mine/7tya) | Cryo-EM structure of human Anion Exchanger 1 modified with Diethyl Pyrocarbonate (DEPC) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, ... | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2022-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
|
|
7TY8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ty8 by Molmil](/molmil-images/mine/7ty8) | Cryo-EM structure of human Anion Exchanger 1 bound to Niflumic Acid | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, ... | Authors: | Capper, M.J, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | Deposit date: | 2022-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
|
|
4M3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m3q by Molmil](/molmil-images/mine/4m3q) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ... | Authors: | Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-06 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.718 Å) | Cite: | Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors. J.Med.Chem., 56, 2013
|
|
1NLM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nlm by Molmil](/molmil-images/mine/1nlm) | CRYSTAL STRUCTURE OF MURG:GLCNAC COMPLEX | Descriptor: | GLYCEROL, UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Hu, Y, Chen, L, Ha, S, Gross, B, Falcone, B, Walker, D, Mokhtarzadeh, M, Walker, S. | Deposit date: | 2003-01-07 | Release date: | 2003-02-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of MurG:UDP-GlcNAc complex reveals common structural principles of a superfamily of glycosyltransferases Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
6CMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cmp by Molmil](/molmil-images/mine/6cmp) | Closed structure of inactive SHP2 mutant C459E | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | Deposit date: | 2018-03-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
|
|
6CPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cpe by Molmil](/molmil-images/mine/6cpe) | Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A | Authors: | Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. | Deposit date: | 2018-03-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
|
|
6CMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cmq by Molmil](/molmil-images/mine/6cmq) | Structure of human SHP2 without N-SH2 domain | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | Deposit date: | 2018-03-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
|
|
6CPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cpf by Molmil](/molmil-images/mine/6cpf) | Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation | Descriptor: | Aurora kinase A, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Otten, R, Zorba, A, Padua, R.A.P, Kern, D. | Deposit date: | 2018-03-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife, 7, 2018
|
|
7M0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m0q by Molmil](/molmil-images/mine/7m0q) | |