6B09
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b09 by Molmil](/molmil-images/mine/6b09) | |
6B69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b69 by Molmil](/molmil-images/mine/6b69) | Beta-Lactamase, 500ms timepoint, mixed, shards crystal form | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ... | Authors: | Pandey, S, Schmidt, M. | Deposit date: | 2017-10-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
|
|
6B6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b6d by Molmil](/molmil-images/mine/6b6d) | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone | Authors: | Pandey, S, Schmidt, M. | Deposit date: | 2017-10-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography. BMC Biol., 16, 2018
|
|
3UOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uov by Molmil](/molmil-images/mine/3uov) | Crystal Structure of OTEMO (FAD bound form 1) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, OTEMO | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | Deposit date: | 2011-11-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.045 Å) | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
3UP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3up5 by Molmil](/molmil-images/mine/3up5) | Crystal Structure of OTEMO complex with FAD and NADP (form 4) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | Deposit date: | 2011-11-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.453 Å) | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
6B98
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b98 by Molmil](/molmil-images/mine/6b98) | PDE2 in complex with compound 1 | Descriptor: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | Authors: | Lu, J. | Deposit date: | 2017-10-10 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
|
|
6O65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o65 by Molmil](/molmil-images/mine/6o65) | |
6O49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o49 by Molmil](/molmil-images/mine/6o49) | |
1REG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1reg by Molmil](/molmil-images/mine/1reg) | |
3UP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3up4 by Molmil](/molmil-images/mine/3up4) | Crystal Structure of OTEMO complex with FAD and NADP (form 3) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | Deposit date: | 2011-11-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
1RSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rsy by Molmil](/molmil-images/mine/1rsy) | |
6O5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6o5d by Molmil](/molmil-images/mine/6o5d) | PYOCHELIN | Descriptor: | GLYCEROL, Neutrophil gelatinase-associated lipocalin, SULFATE ION | Authors: | Rupert, P.B, Strong, R.K, Clifton, M.C, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-03-01 | Release date: | 2019-09-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands. J Struct Biol X, 2, 2019
|
|
6CT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ct5 by Molmil](/molmil-images/mine/6ct5) | |
6CCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ccn by Molmil](/molmil-images/mine/6ccn) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide | Descriptor: | (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
7MFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mfr by Molmil](/molmil-images/mine/7mfr) | Crystal Structure of a Fab fragment bound to peptide GGM | Descriptor: | Antibody fragment - Heavy Chain of fab, Antibody fragment - Light Chain of fab, GLY-GLY-MET, ... | Authors: | Sudhamsu, J. | Deposit date: | 2021-04-10 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.848 Å) | Cite: | Antibody toolkit reveals N-terminally ubiquitinated substrates of UBE2W. Nat Commun, 12, 2021
|
|
3V0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v0s by Molmil](/molmil-images/mine/3v0s) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
|
|
3UU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uu5 by Molmil](/molmil-images/mine/3uu5) | The GLIC pentameric Ligand-Gated Ion Channel Loop2-20' mutant reduced in solution | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-11-28 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
|
|
7MGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mgs by Molmil](/molmil-images/mine/7mgs) | |
6CXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cxz by Molmil](/molmil-images/mine/6cxz) | RNA octamer containing 2'-F, 4'-Calpha-Me U. | Descriptor: | CACODYLATE ION, COBALT HEXAMMINE(III), RNA (5'-R(*CP*GP*AP*AP*(U4M)P*UP*CP*G)-3') | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2018-04-04 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity. Nucleic Acids Res., 46, 2018
|
|
7MGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7mgr by Molmil](/molmil-images/mine/7mgr) | |
3UOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uoz by Molmil](/molmil-images/mine/3uoz) | Crystal Structure of OTEMO complex with FAD and NADP (form 2) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | Deposit date: | 2011-11-17 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.407 Å) | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
|
|
6CCL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ccl by Molmil](/molmil-images/mine/6ccl) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine | Descriptor: | 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
6CHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6chp by Molmil](/molmil-images/mine/6chp) | |
7KXT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kxt by Molmil](/molmil-images/mine/7kxt) | Crystal structure of human EED | Descriptor: | 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION | Authors: | Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-04 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction. J.Med.Chem., 64, 2021
|
|
6C9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c9d by Molmil](/molmil-images/mine/6c9d) | |