7PUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7puw by Molmil](/molmil-images/mine/7puw) | Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-09-30 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
7PUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7puv by Molmil](/molmil-images/mine/7puv) | Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | Descriptor: | 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-09-30 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
7Q0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0c by Molmil](/molmil-images/mine/7q0c) | Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate | Descriptor: | ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-10-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
|
|
8FS5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fs5 by Molmil](/molmil-images/mine/8fs5) | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 3 (open 9-1-1 and stably bound chamber DNA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2023-01-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology. Biorxiv, 2023
|
|
8FS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fs4 by Molmil](/molmil-images/mine/8fs4) | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 2 (open 9-1-1 ring and flexibly bound chamber DNA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2023-01-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology. Biorxiv, 2023
|
|
8FS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fs3 by Molmil](/molmil-images/mine/8fs3) | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 1 (open 9-1-1 and shoulder bound DNA only) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2023-01-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology. Biorxiv, 2023
|
|
8FQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fqo by Molmil](/molmil-images/mine/8fqo) | ADC-33 in complex with boronic acid transition state inhibitor MB076 | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
8FQN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fqn by Molmil](/molmil-images/mine/8fqn) | apo ADC-33 beta-lactamase | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | Deposit date: | 2023-01-06 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.256 Å) | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum. J.Med.Chem., 66, 2023
|
|
8FS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fs8 by Molmil](/molmil-images/mine/8fs8) | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 5-nt gapped DNA (9-1-1 encircling fully bound DNA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2023-01-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology. Biorxiv, 2023
|
|
8FS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fs7 by Molmil](/molmil-images/mine/8fs7) | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 5 (closed 9-1-1 and stably bound chamber DNA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2023-01-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology. Biorxiv, 2023
|
|
8FS6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fs6 by Molmil](/molmil-images/mine/8fs6) | Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 4 (partially closed 9-1-1 and stably bound chamber DNA) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2023-01-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology. Biorxiv, 2023
|
|
6MC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mc1 by Molmil](/molmil-images/mine/6mc1) | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ... | Authors: | Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E. | Deposit date: | 2018-08-30 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An allosteric site on MKP5 reveals a strategy for small-molecule inhibition. Sci.Signal., 13, 2020
|
|
8FYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fym by Molmil](/molmil-images/mine/8fym) | Crystal structure of Fab235 in complex with MPER peptide | Descriptor: | ALA-SER-LEU-TRP-ASN-TRP-PHE-ASN-ILE-THR-ASN-TRP-LEU-TRP-TYR-ILE-LYS-LYS-LYS, CHLORIDE ION, Fab235, ... | Authors: | Tan, K, Kim, M, Reinherz, E.L. | Deposit date: | 2023-01-26 | Release date: | 2023-10-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility. Nat Commun, 14, 2023
|
|
8FAN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fan by Molmil](/molmil-images/mine/8fan) | Crystal structure of Ky15.1 Fab in complex with circumsporozoite protein KQPA peptide | Descriptor: | Circumsporozoite protein KQPA peptide, Ky15.1 Antibody, heavy chain, ... | Authors: | Burn Aschner, C, Thai, E, Julien, J.P. | Deposit date: | 2022-11-28 | Release date: | 2023-11-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein. Cell Rep, 42, 2023
|
|
4XRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xry by Molmil](/molmil-images/mine/4xry) | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Fan, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
|
|
8FF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ff3 by Molmil](/molmil-images/mine/8ff3) | |
8D29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d29 by Molmil](/molmil-images/mine/8d29) | |
4XNN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xnn by Molmil](/molmil-images/mine/4xnn) | Crystal Structure of a GH7 Family Cellobiohydrolase from Daphnia pulex | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL | Authors: | Ebrahim, A, Hobdey, S.E, Podkaminer, K, Taylor II, L.E, Beckham, G.T, Decker, S.R, Himmel, M.E, Cragg, S.M, McGeehan, J.E. | Deposit date: | 2015-01-15 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of a GH7 Family Cellobiohydrolase from Daphnia pulex To Be Published
|
|
8FQC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fqc by Molmil](/molmil-images/mine/8fqc) | Structure of baseplate with receptor binding complex of Agrobacterium phage Milano | Descriptor: | Baseplate Centerpiece, gp25, Baseplate Central Spike, ... | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | Deposit date: | 2023-01-05 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano. Nat Commun, 15, 2024
|
|
1C0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c0w by Molmil](/molmil-images/mine/1c0w) | CRYSTAL STRUCTURE OF THE COBALT-ACTIVATED DIPHTHERIA TOXIN REPRESSOR-DNA COMPLEX REVEALS A METAL BINDING SH-LIKE DOMAIN | Descriptor: | COBALT (II) ION, DIPHTHERIA TOXIN REPRESSOR, DNA (5'-D(P*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*CP*CP*TP*AP*CP*CP*CP*TP*AP*AP*T)-3'), ... | Authors: | Pohl, E, Holmes, R.K, Hol, W.G. | Deposit date: | 1999-07-22 | Release date: | 2000-07-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of a cobalt-activated diphtheria toxin repressor-DNA complex reveals a metal-binding SH3-like domain. J.Mol.Biol., 292, 1999
|
|
8FYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fyz by Molmil](/molmil-images/mine/8fyz) | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13) | Descriptor: | (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem.J., 481, 2024
|
|
8FYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fyy by Molmil](/molmil-images/mine/8fyy) | |
8G0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g0h by Molmil](/molmil-images/mine/8g0h) | |
8FZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fz1 by Molmil](/molmil-images/mine/8fz1) | Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14) | Descriptor: | (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2023-01-27 | Release date: | 2024-02-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks. Biochem.J., 481, 2024
|
|
7PP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pp9 by Molmil](/molmil-images/mine/7pp9) | |