3VDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vdd by Molmil](/molmil-images/mine/3vdd) | Structure of HRV2 capsid complexed with antiviral compound BTA798 | Descriptor: | 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole, Protein VP1, Protein VP2, ... | Authors: | Morton, C.J, Feil, S.C, Parker, M.W. | Deposit date: | 2012-01-05 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | An Orally Available 3-Ethoxybenzisoxazole Capsid Binder with Clinical Activity against Human Rhinovirus. ACS Med Chem Lett, 3, 2012
|
|
3VE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ve2 by Molmil](/molmil-images/mine/3ve2) | |
3VES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ves by Molmil](/molmil-images/mine/3ves) | Crystal structure of the O-carbamoyltransferase TobZ in complex with AMPCPP and carbamoyl phosphate | Descriptor: | 1,2-ETHANEDIOL, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, FE (II) ION, ... | Authors: | Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F. | Deposit date: | 2012-01-09 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
3VFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vfi by Molmil](/molmil-images/mine/3vfi) | Crystal Structure of a Metagenomic Thioredoxin | Descriptor: | thioredoxin | Authors: | Craig, T.K, Gardberg, A, Lorimer, D.D, Burgin Jr, A.B, Segall, A, Rohwer, F. | Deposit date: | 2012-01-09 | Release date: | 2013-01-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of a Metagenomic Thioredoxin To be Published
|
|
3VFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vfs by Molmil](/molmil-images/mine/3vfs) | crystal structure of HLA B*3508LPEP-P5Ala , peptide mutant P5-ala | Descriptor: | Beta-2-microglobulin, LPEP peptide from EBV, P5A, ... | Authors: | Liu, Y.C, Rossjohn, J, Gras, S. | Deposit date: | 2012-01-10 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule. J.Biol.Chem., 287, 2012
|
|
3VG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vg2 by Molmil](/molmil-images/mine/3vg2) | Iodide derivative of human LFABP | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | Authors: | Sharma, A, Yogavel, M, Sharma, A. | Deposit date: | 2011-08-03 | Release date: | 2012-06-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Utility of anion and cation combinations for phasing of protein structures. J.Struct.Funct.Genom., 13, 2012
|
|
3UFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ufx by Molmil](/molmil-images/mine/3ufx) | Thermus aquaticus succinyl-CoA synthetase in complex with GDP-Mn2+ | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Succinyl-CoA synthetase beta subunit, ... | Authors: | Fraser, M.E. | Deposit date: | 2011-11-01 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Biochemical and structural characterization of the GTP-preferring succinyl-CoA synthetase from Thermus aquaticus. Acta Crystallogr.,Sect.D, 68, 2012
|
|
3UGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ugv by Molmil](/molmil-images/mine/3ugv) | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG | Descriptor: | CHLORIDE ION, Enolase, MAGNESIUM ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-11-03 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG to be published
|
|
3UKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uka by Molmil](/molmil-images/mine/3uka) | |
3UKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ukf by Molmil](/molmil-images/mine/3ukf) | |
3ULT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ult by Molmil](/molmil-images/mine/3ult) | Crystal structure of an ice-binding protein from the perennial ryegrass, Lolium perenne | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Ice recrystallization inhibition protein-like protein | Authors: | Middleton, A.J, Faucher, F, Campbell, R.L, Davies, P.L. | Deposit date: | 2011-11-11 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Antifreeze protein from freeze-tolerant grass has a beta-roll fold with an irregularly structured ice-binding site. J.Mol.Biol., 416, 2012
|
|
3UC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uc7 by Molmil](/molmil-images/mine/3uc7) | Trp-cage cyclo-TC1 - monoclinic crystal form | Descriptor: | CHLORIDE ION, Cyclo-TC1 | Authors: | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | Deposit date: | 2011-10-26 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
3UC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uc9 by Molmil](/molmil-images/mine/3uc9) | |
3UDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
|
|
3UDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3udq by Molmil](/molmil-images/mine/3udq) | Crystal Structure of BACE with Compound 13 | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
|
|
3UE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ue2 by Molmil](/molmil-images/mine/3ue2) | |
3UTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3utq by Molmil](/molmil-images/mine/3utq) | Human HLA-A*0201-ALWGPDPAAA | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M. | Deposit date: | 2011-11-26 | Release date: | 2012-01-25 | Last modified: | 2012-03-07 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes. Nat.Immunol., 13, 2012
|
|
3UGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ugj by Molmil](/molmil-images/mine/3ugj) | Formyl Glycinamide ribonucletide amidotransferase from Salmonella Typhimurum: Role of the ATP complexation and glutaminase domain in catalytic coupling | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ... | Authors: | Morar, M, Tanwar, A.S, Panjikar, S, Anand, R. | Deposit date: | 2011-11-02 | Release date: | 2012-06-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling Acta Crystallogr.,Sect.D, 68, 2012
|
|
3UI6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ui6 by Molmil](/molmil-images/mine/3ui6) | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2012-11-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT To be Published
|
|
3UIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uin by Molmil](/molmil-images/mine/3uin) | Complex between human RanGAP1-SUMO2, UBC9 and the IR1 domain from RanBP2 | Descriptor: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | Authors: | Gareau, J.R, Reverter, D, Lima, C.D. | Deposit date: | 2011-11-05 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2. J.Biol.Chem., 287, 2012
|
|
3UJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uj4 by Molmil](/molmil-images/mine/3uj4) | Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor | Descriptor: | Inositol 1,4,5-trisphosphate receptor type 1, SULFATE ION | Authors: | Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P. | Deposit date: | 2011-11-07 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and functional conservation of key domains in InsP3 and ryanodine receptors. Nature, 483, 2012
|
|
3UDM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3udm by Molmil](/molmil-images/mine/3udm) | Crystal Structure of BACE with Compound 8 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
|
|
3UKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ukp by Molmil](/molmil-images/mine/3ukp) | |
3UDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3udt by Molmil](/molmil-images/mine/3udt) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP5. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-pentakisphosphate 2-kinase, MAGNESIUM ION, ... | Authors: | Gosein, V, Leung, T.-F, Krajden, O, Miller, G.J. | Deposit date: | 2011-10-28 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inositol phosphate-induced stabilization of inositol 1,3,4,5,6-pentakisphosphate 2-kinase and its role in substrate specificity. Protein Sci., 21, 2012
|
|
3UMW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3umw by Molmil](/molmil-images/mine/3umw) | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | Descriptor: | (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ... | Authors: | Parker, L.J, Handa, N, Yokoyama, S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound. J.Med.Chem., 55, 2012
|
|