5ZDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zdz by Molmil](/molmil-images/mine/5zdz) | Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in Ca2+ | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (30-MER), ... | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | Deposit date: | 2018-02-25 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018
|
|
5ZE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ze0 by Molmil](/molmil-images/mine/5ze0) | Hairpin Forming Complex, RAG1/2-Nicked(with Dideoxy) 12RSS/23RSS complex in Mg2+ | Descriptor: | 1,2-ETHANEDIOL, DNA (30-MER), DNA (39-MER), ... | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | Deposit date: | 2018-02-25 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018
|
|
5ZE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ze1 by Molmil](/molmil-images/mine/5ze1) | Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in 2mM Mn2+ for 10 min at 4'C | Descriptor: | 1,2-ETHANEDIOL, DNA, HMGB1 A-B box, ... | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | Deposit date: | 2018-02-25 | Release date: | 2018-04-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cracking the DNA Code for V(D)J Recombination Mol. Cell, 70, 2018
|
|
6KE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ke4 by Molmil](/molmil-images/mine/6ke4) | ABloop reengineered Ferritin Nanocage | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Wang, W.M, Wang, H.F. | Deposit date: | 2019-07-03 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | AB loop engineered ferritin nanocages for drug loading under benign experimental conditions. Chem.Commun.(Camb.), 55, 2019
|
|
6KE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ke2 by Molmil](/molmil-images/mine/6ke2) | ABloop reengineered Ferritin Nanocage | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Wang, W.M, Wang, H.F. | Deposit date: | 2019-07-03 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | AB loop engineered ferritin nanocages for drug loading under benign experimental conditions. Chem.Commun.(Camb.), 55, 2019
|
|
6UEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ueg by Molmil](/molmil-images/mine/6ueg) | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | Descriptor: | 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CALCIUM ION | Authors: | Chen, Y, Kroeck, K, Sacco, M. | Deposit date: | 2019-09-20 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography. Sci Rep, 9, 2019
|
|
4FWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fwz by Molmil](/molmil-images/mine/4fwz) | Aquoferric CuB myoglobin (L29H F43H sperm whale myoglobin) | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gao, Y.-G, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y. | Deposit date: | 2012-07-02 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
4FWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fwy by Molmil](/molmil-images/mine/4fwy) | F33Y CuB myoglobin (F33Y L29H F43H sperm whale myoglobin) with copper bound | Descriptor: | COPPER (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gao, Y.-G, Robinson, H, Petrik, I.D, Miner, K.D, Lu, Y. | Deposit date: | 2012-07-02 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Designed Functional Metalloenzyme that Reduces O(2) to H(2) O with Over One Thousand Turnovers. Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
6UEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uec by Molmil](/molmil-images/mine/6uec) | Pseudomonas aeruginosa LpxD Complex Structure with Ligand | Descriptor: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Chen, Y, Kroeck, K, Sacco, M. | Deposit date: | 2019-09-20 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography. Sci Rep, 9, 2019
|
|
6IDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6idv by Molmil](/molmil-images/mine/6idv) | Peptide Asparaginyl Ligases from Viola yedoensis | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | El Sahili, A, Hu, S, Lescar, J. | Deposit date: | 2018-09-11 | Release date: | 2019-05-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural determinants for peptide-bond formation by asparaginyl ligases. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6UEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uee by Molmil](/molmil-images/mine/6uee) | Pseudomonas aeruginosa LpxA Complex Structure with Ligand | Descriptor: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | Authors: | Chen, Y, Kroeck, K, Sacco, M. | Deposit date: | 2019-09-20 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography. Sci Rep, 9, 2019
|
|
6UN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6un3 by Molmil](/molmil-images/mine/6un3) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2019-10-10 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase. Antimicrob.Agents Chemother., 64, 2019
|
|
4HF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hf4 by Molmil](/molmil-images/mine/4hf4) | |
7K36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k36 by Molmil](/molmil-images/mine/7k36) | Cryo-EM structure of STRIPAK complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, MANGANESE (II) ION, MOB-like protein phocein, ... | Authors: | Jeong, B.-C, Bai, X.C. | Deposit date: | 2020-09-10 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of the Hippo signaling integrator human STRIPAK. Nat.Struct.Mol.Biol., 28, 2021
|
|
6UN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6un1 by Molmil](/molmil-images/mine/6un1) | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin | Descriptor: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2019-10-10 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase. Antimicrob.Agents Chemother., 64, 2019
|
|
4HEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4heu by Molmil](/molmil-images/mine/4heu) | |
7KIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kia by Molmil](/molmil-images/mine/7kia) | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | Descriptor: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | Deposit date: | 2020-10-23 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
|
|
7KIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kie by Molmil](/molmil-images/mine/7kie) | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3 | Descriptor: | CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ... | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | Deposit date: | 2020-10-23 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
|
|
2JUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jus by Molmil](/molmil-images/mine/2jus) | |
2JUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jut by Molmil](/molmil-images/mine/2jut) | |
2JSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jsy by Molmil](/molmil-images/mine/2jsy) | Solution structure of Tpx in the oxidized state | Descriptor: | Probable thiol peroxidase | Authors: | Jin, C, Lu, J. | Deposit date: | 2007-07-17 | Release date: | 2008-07-22 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Reversible conformational switch revealed by the redox structures of Bacillus subtilis thiol peroxidase Biochem.Biophys.Res.Commun., 373, 2008
|
|
2JUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jur by Molmil](/molmil-images/mine/2jur) | |
8FIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fiv by Molmil](/molmil-images/mine/8fiv) | |
8FIW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fiw by Molmil](/molmil-images/mine/8fiw) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221 | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2022-12-16 | Release date: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors. Eur.J.Med.Chem., 259, 2023
|
|
2JUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2juq by Molmil](/molmil-images/mine/2juq) | |