6N8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n8u by Molmil](/molmil-images/mine/6n8u) | |
6PDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pdp by Molmil](/molmil-images/mine/6pdp) | Human PIM1 bound to benzothiophene inhibitor 379 | Descriptor: | 5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide, Peptide, SULFATE ION, ... | Authors: | Godoi, P.H.C, Sriranganadane, D, Santiago, A.S, Fala, A.M, Ramos, P.Z, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human PIM1 To Be Published
|
|
7TTP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ttp by Molmil](/molmil-images/mine/7ttp) | P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase | Authors: | Greule, A, Izore, T, Cryle, M.J. | Deposit date: | 2022-02-01 | Release date: | 2022-05-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage. Front Chem, 10, 2022
|
|
6BDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bda by Molmil](/molmil-images/mine/6bda) | Wild-type I-OnuI bound to A3G substrate (post-cleavage complex) | Descriptor: | Cleaved Cognate DNA strand, +11 sense, Cleaved cognate DNA strand, ... | Authors: | Brown, C, Zhang, K, Laforet, M, McMurrough, T, Gloor, G.B, Edgell, D.R, Junop, M. | Deposit date: | 2017-10-22 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Wild-type I-OnuI bound to A3G substrate (post-cleavage complex) To Be Published
|
|
8D3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d3j by Molmil](/molmil-images/mine/8d3j) | |
6VQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vqn by Molmil](/molmil-images/mine/6vqn) | Co-crystal structure of human PD-L1 complexed with Compound A | Descriptor: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | Authors: | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | Deposit date: | 2020-02-05 | Release date: | 2021-01-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1. Nat Commun, 12, 2021
|
|
7X68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x68 by Molmil](/molmil-images/mine/7x68) | CYS179 and CYS504 of CRMP2 were covalently binded by a Sesquiterpene lactone | Descriptor: | (3aR,5S,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one, Dihydropyrimidinase-related protein 2, SODIUM ION | Authors: | Zhang, S.D, Ma, Y.F, Zhang, J. | Deposit date: | 2022-03-06 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CYS179 and CYS504 of CRMP2 were covalently binded by a Sesquiterpene lactone To Be Published
|
|
8D3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d3e by Molmil](/molmil-images/mine/8d3e) | |
6VM6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vm6 by Molmil](/molmil-images/mine/6vm6) | Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 2'3'3'-cAAA | Descriptor: | 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3'), SAVED domain-containing protein, SULFATE ION | Authors: | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | Deposit date: | 2020-01-27 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
|
|
7TTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tta by Molmil](/molmil-images/mine/7tta) | P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation, attenuated beam | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase | Authors: | Greule, A, Izore, T, Cryle, M.J. | Deposit date: | 2022-02-01 | Release date: | 2022-05-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage. Front Chem, 10, 2022
|
|
8D3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d3h by Molmil](/molmil-images/mine/8d3h) | |
8D2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d2j by Molmil](/molmil-images/mine/8d2j) | A novel insecticidal protein from ferns IPD113_Cow. | Descriptor: | GLYCEROL, IPD113_Cow | Authors: | Maher, M.J. | Deposit date: | 2022-05-30 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel insecticidal proteins from ferns resemble insecticidal proteins from Bacillus thuringiensis. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8D3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d3i by Molmil](/molmil-images/mine/8d3i) | |
8PGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgh by Molmil](/molmil-images/mine/8pgh) | Crystal structure of the metallo-beta-lactamase VIM1 with 2955 | Descriptor: | 7-[(1~{S})-1-[1-(3-azanylpropyl)pyrazol-4-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2955 To Be Published
|
|
6N9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n9d by Molmil](/molmil-images/mine/6n9d) | Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) | Descriptor: | CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ... | Authors: | Raeeszadeh-Sarmazdeh, M, Radisky, E.S, Sankaran, B. | Deposit date: | 2018-12-03 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition. J.Biol.Chem., 294, 2019
|
|
8PIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pie by Molmil](/molmil-images/mine/8pie) | Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010 | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | Authors: | Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B. | Deposit date: | 2023-06-21 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The activation chain of the broad-spectrum antiviral bemnifosbuvir at atomic resolution Plos Biol., 2024
|
|
8D3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d3n by Molmil](/molmil-images/mine/8d3n) | |
6PJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pj8 by Molmil](/molmil-images/mine/6pj8) | |
8PGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgx by Molmil](/molmil-images/mine/8pgx) | Crystal structure of the metallo-beta-lactamase VIM1 with 3461 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3461 To Be Published
|
|
6VRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vro by Molmil](/molmil-images/mine/6vro) | The structure of the PP2A B56 subunit AIM1 complex | Descriptor: | Beta/gamma crystallin domain-containing protein 1, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform | Authors: | Wang, X, Page, R, Peti, W. | Deposit date: | 2020-02-08 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A dynamic charge-charge interaction modulates PP2A:B56 substrate recruitment. Elife, 9, 2020
|
|
8D3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d3k by Molmil](/molmil-images/mine/8d3k) | |
6PJP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pjp by Molmil](/molmil-images/mine/6pjp) | |
8PGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pgr by Molmil](/molmil-images/mine/8pgr) | Crystal structure of the metallo-beta-lactamase VIM1 with 3270 | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-methoxypyridin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-18 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3270 To Be Published
|
|
6BG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bg2 by Molmil](/molmil-images/mine/6bg2) | |
7TTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ttq by Molmil](/molmil-images/mine/7ttq) | P450 (OxyA) from kistamicin biosynthesis, imidazole complex | Descriptor: | GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Greule, A, Izore, T, Cryle, M.J. | Deposit date: | 2022-02-01 | Release date: | 2022-05-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage. Front Chem, 10, 2022
|
|