6CLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cla by Molmil](/molmil-images/mine/6cla) | 2.80 A MicroED structure of proteinase K at 6.0 e- / A^2 | Descriptor: | Proteinase K | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | Deposit date: | 2018-03-02 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | ELECTRON CRYSTALLOGRAPHY (2.8 Å) | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
|
|
7LVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lvo by Molmil](/molmil-images/mine/7lvo) | Cryptococcus neoformans GAR synthetase | Descriptor: | 1,2-ETHANEDIOL, phosphoribosyl-glycinamide (GAR) synthetase | Authors: | Chua, S.M.H, Luo, Z, Lim, B.Y.J, Kobe, B, Fraser, J.A. | Deposit date: | 2021-02-26 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural features of Cryptococcus neoformans bifunctional GAR/AIR synthetase may present novel antifungal drug targets. J.Biol.Chem., 297, 2021
|
|
6ZWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zwp by Molmil](/molmil-images/mine/6zwp) | p38a bound with SR348 | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-28 | Release date: | 2020-08-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
|
|
6I5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i5f by Molmil](/molmil-images/mine/6i5f) | Crystal structure of DNA-free E.coli MutS P839E dimer mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS, GLYCEROL, ... | Authors: | Bhairosing-Kok, D, Groothuizen, F.S, Fish, A, Dharadhar, S, Winterwerp, H.H.K, Sixma, T.K. | Deposit date: | 2018-11-13 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Sharp kinking of a coiled-coil in MutS allows DNA binding and release. Nucleic Acids Res., 47, 2019
|
|
6GXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gxv by Molmil](/molmil-images/mine/6gxv) | Amylase in complex with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, A-amylase, CALCIUM ION, ... | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | Deposit date: | 2018-06-27 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6CML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cml by Molmil](/molmil-images/mine/6cml) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 2093) | Descriptor: | 1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ... | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2018-03-05 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei Rsc Med Chem, 11, 2020
|
|
6GY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gy5 by Molmil](/molmil-images/mine/6gy5) | Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Death-associated protein kinase 1, ... | Authors: | Chen, Z, Hozjan, V, Strain-Damerell, C, Williams, E, Wang, D, Cooper, C.D.O, Sanvitale, C.E, Fairhead, M, Carpenter, E.P, Pike, A.C.W, Krojer, T, Srikannathasan, V, Sorrell, F, Johansson, C, Mathea, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2018-06-28 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.086 Å) | Cite: | Structural Basis for Recruitment of DAPK1 to the KLHL20 E3 Ligase. Structure, 27, 2019
|
|
5FVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fvq by Molmil](/molmil-images/mine/5fvq) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine | Descriptor: | 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
|
|
6I6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i6o by Molmil](/molmil-images/mine/6i6o) | Circular permutant of ribosomal protein S6, swap helix 2, L75A mutant | Descriptor: | 30S ribosomal protein S6,30S ribosomal protein S6 | Authors: | Wang, H, Logan, D.T, Oliveberg, M. | Deposit date: | 2018-11-15 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6GYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gya by Molmil](/molmil-images/mine/6gya) | Amylase in complex with branched ligand | Descriptor: | A-amylase, CALCIUM ION, SODIUM ION, ... | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | Deposit date: | 2018-06-28 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6CMS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cms by Molmil](/molmil-images/mine/6cms) | Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor | Descriptor: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, 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 (2.68 Å) | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
|
|
8SY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sy3 by Molmil](/molmil-images/mine/8sy3) | |
5WS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ws8 by Molmil](/molmil-images/mine/5ws8) | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate | Descriptor: | MAGNESIUM ION, OXALATE ION, Pyruvate kinase | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | Deposit date: | 2016-12-06 | Release date: | 2017-11-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
|
|
6R4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r4d by Molmil](/molmil-images/mine/6r4d) | Aurora-A in complex with shape-diverse fragment 58 | Descriptor: | (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2019-03-22 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
|
|
5WBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wba by Molmil](/molmil-images/mine/5wba) | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | Deposit date: | 2017-06-28 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins. J. Am. Chem. Soc., 139, 2017
|
|
6I6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i6y by Molmil](/molmil-images/mine/6i6y) | |
6GYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gyt by Molmil](/molmil-images/mine/6gyt) | |
5FXD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fxd by Molmil](/molmil-images/mine/5fxd) | Crystal structure of eugenol oxidase in complex with isoeugenol | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ISOEUGENOL, ... | Authors: | Nguyen, Q.-T, de Gonzalo, G, Binda, C, Martinez, A.R, Mattevi, A, Fraaije, M.W. | Deposit date: | 2016-03-01 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biocatalytic Properties and Structural Analysis of Eugenol Oxidase from Rhodococcus Jostii Rha1: A Versatile Oxidative Biocatalyst. Chembiochem, 17, 2016
|
|
6I77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i77 by Molmil](/molmil-images/mine/6i77) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-4 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.219 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
|
|
6CNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cng by Molmil](/molmil-images/mine/6cng) | The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution | Descriptor: | ACETATE ION, Fatty Acid Kinase (Fak) B3 protein, GLYCEROL, ... | Authors: | Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2018-03-08 | Release date: | 2019-07-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution To Be Published
|
|
7LDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ldv by Molmil](/molmil-images/mine/7ldv) | |
5FJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fj0 by Molmil](/molmil-images/mine/5fj0) | |
6I7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i7h by Molmil](/molmil-images/mine/6i7h) | Crystal structure of dimeric FICD mutant K256S | Descriptor: | Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
|
|
6GYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gyz by Molmil](/molmil-images/mine/6gyz) | |
7RE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7re5 by Molmil](/molmil-images/mine/7re5) | |