5HDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hdv by Molmil](/molmil-images/mine/5hdv) | |
7AZ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7az9 by Molmil](/molmil-images/mine/7az9) | Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-11-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
|
|
7AZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7az3 by Molmil](/molmil-images/mine/7az3) | Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-11-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
|
|
7AZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aza by Molmil](/molmil-images/mine/7aza) | Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-11-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
|
|
6TJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tjs by Molmil](/molmil-images/mine/6tjs) | |
5A4M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a4m by Molmil](/molmil-images/mine/5a4m) | Mechanism of Hydrogen activation by NiFe-hydrogenases | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | Authors: | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sergent, F, Carr, S.B, Philips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-06-10 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of Hydrogen Activation by [Nife] Hydrogenases. Nat.Chem.Biol., 12, 2016
|
|
7AZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7az4 by Molmil](/molmil-images/mine/7az4) | Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-11-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
|
|
5A6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a6n by Molmil](/molmil-images/mine/5a6n) | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2 | Descriptor: | 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ... | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | Deposit date: | 2015-06-30 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
6HSZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hsz by Molmil](/molmil-images/mine/6hsz) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2 | Descriptor: | 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-10-02 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
|
|
5NYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nyx by Molmil](/molmil-images/mine/5nyx) | |
7AOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aos by Molmil](/molmil-images/mine/7aos) | crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ... | Authors: | le Maire, A, Guee, L, Bourguet, W. | Deposit date: | 2020-10-15 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol., 433, 2021
|
|
5FK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fk4 by Molmil](/molmil-images/mine/5fk4) | |
6TKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tkf by Molmil](/molmil-images/mine/6tkf) | ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2 | Descriptor: | ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S | Authors: | Orr, C.M, Fisher, H, Tews, I. | Deposit date: | 2019-11-28 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility. Sci Immunol, 7, 2022
|
|
6TO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6to3 by Molmil](/molmil-images/mine/6to3) | |
6HTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hti by Molmil](/molmil-images/mine/6hti) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 6 | Descriptor: | GLYCEROL, Histone deacetylase, POTASSIUM ION, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
|
|
5O81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o81 by Molmil](/molmil-images/mine/5o81) | |
5FBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fbn by Molmil](/molmil-images/mine/5fbn) | BTK kinase domain with inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
|
|
7B5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b5u by Molmil](/molmil-images/mine/7b5u) | RCK_C domain dimer of S.agalactiae BusR in complex with c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GntR family transcriptional regulator | Authors: | Bandera, A.M, Witte, G. | Deposit date: | 2020-12-07 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture. Nucleic Acids Res., 49, 2021
|
|
5G0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g0a by Molmil](/molmil-images/mine/5g0a) | The crystal structure of a S-selective transaminase from Bacillus megaterium | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W. | Deposit date: | 2016-03-17 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases Biochemistry, 55, 2016
|
|
5FK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fk3 by Molmil](/molmil-images/mine/5fk3) | |
5FNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fne by Molmil](/molmil-images/mine/5fne) | |
6U0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u0e by Molmil](/molmil-images/mine/6u0e) | |
6U24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u24 by Molmil](/molmil-images/mine/6u24) | NMR solution structure of triazole bridged SFTI-1 | Descriptor: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ILE-ALA-PHE-PRO-ASP | Authors: | White, A.M, Harvey, P.J, Durek, T, Craik, D.J. | Deposit date: | 2019-08-19 | Release date: | 2020-07-01 | Last modified: | 2020-07-15 | Method: | SOLUTION NMR | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6K97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k97 by Molmil](/molmil-images/mine/6k97) | Crystal structure of fusion DH domain | Descriptor: | Fusion DH, SULFATE ION | Authors: | Kawasaki, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2019-06-14 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Functional and Structural Analyses of the Split-Dehydratase Domain in the Biosynthesis of Macrolactam Polyketide Cremimycin. Biochemistry, 58, 2019
|
|
5A29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5a29 by Molmil](/molmil-images/mine/5a29) | Family 2 Pectate Lyase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... | Authors: | McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. | Deposit date: | 2015-05-15 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2. J.Biol.Chem., 290, 2015
|
|