8AB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ab3 by Molmil](/molmil-images/mine/8ab3) | Crystal Structure of the Lactate Dehydrogenase of Cyanobacterium Aponinum in complex with oxamate, NADH and FBP. | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,6-di-O-phosphono-beta-D-fructofuranose, L-lactate dehydrogenase, ... | Authors: | Robin, A.Y, Girard, E, Madern, D. | Deposit date: | 2022-07-04 | Release date: | 2022-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.616 Å) | Cite: | Deciphering Evolutionary Trajectories of Lactate Dehydrogenases Provides New Insights into Allostery. Mol.Biol.Evol., 40, 2023
|
|
5MI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mi5 by Molmil](/molmil-images/mine/5mi5) | BtGH84 mutant with covalent modification by MA3 in complex with PUGNAc | Descriptor: | CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ... | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
|
|
6B82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b82 by Molmil](/molmil-images/mine/6b82) | Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex | Descriptor: | ACETATE ION, Abiraterone, CHLORIDE ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2017-10-05 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes. J. Biol. Chem., 293, 2018
|
|
8AD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ad8 by Molmil](/molmil-images/mine/8ad8) | Flavin-dependent tryptophan 6-halogenase Thal in complex with a D-Trp-Ser dipeptide | Descriptor: | D-tryptophyl-L-serine, GLYCEROL, PHOSPHATE ION, ... | Authors: | Gafe, S, Moritzer, A.C, Montua, N, Sewald, N, Niemann, H.H. | Deposit date: | 2022-07-08 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Enzymatic Late-Stage Halogenation of Peptides. Chembiochem, 24, 2023
|
|
8CVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cvn by Molmil](/molmil-images/mine/8cvn) | Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-05-18 | Release date: | 2023-03-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system. Nat Commun, 14, 2023
|
|
8B26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8b26 by Molmil](/molmil-images/mine/8b26) | Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga | Descriptor: | Dihydroprecondylocarpine acetate synthase 2, ZINC ION | Authors: | Langley, C, Basquin, J, Caputi, L, O'Connor, S.E. | Deposit date: | 2022-09-13 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
8D1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d1c by Molmil](/molmil-images/mine/8d1c) | Crystal structure of T252E-CYP199A4 in complex with 4-(Trifluoromethoxy)benzoic acid | Descriptor: | 4-(trifluoromethoxy)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | Deposit date: | 2022-05-27 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Selective Oxidations Using a Cytochrome P450 Enzyme Variant Driven with Surrogate Oxygen Donors and Light. Chemistry, 28, 2022
|
|
4Q73
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q73 by Molmil](/molmil-images/mine/4q73) | Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D778Y | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ... | Authors: | Tanner, J.J, Luo, M, Pemberton, T.A. | Deposit date: | 2014-04-23 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A. Biochemistry, 53, 2014
|
|
1BP1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bp1 by Molmil](/molmil-images/mine/1bp1) | CRYSTAL STRUCTURE OF BPI, THE HUMAN BACTERICIDAL PERMEABILITY-INCREASING PROTEIN | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN | Authors: | Beamer, L.J, Carroll, S.F, Eisenberg, D. | Deposit date: | 1997-04-08 | Release date: | 1997-09-04 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human BPI and two bound phospholipids at 2.4 angstrom resolution. Science, 276, 1997
|
|
5MKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mkp by Molmil](/molmil-images/mine/5mkp) | Non redox thiolation in transfer RNAs occuring via sulfur activation by a [4Fe-4S] cluster | Descriptor: | Fe4 H S5, PH0300, ZINC ION | Authors: | Arragain, S, Bimai, O, Legrand, P, Golinelli-Pimpaneau, B. | Deposit date: | 2016-12-05 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonredox thiolation in tRNA occurring via sulfur activation by a [4Fe-4S] cluster. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
8OVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ovd by Molmil](/molmil-images/mine/8ovd) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
|
|
6BG3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bg3 by Molmil](/molmil-images/mine/6bg3) | Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1 | Descriptor: | Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | Deposit date: | 2017-10-27 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J. Med. Chem., 61, 2018
|
|
1JOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1job by Molmil](/molmil-images/mine/1job) | |
8AD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ad7 by Molmil](/molmil-images/mine/8ad7) | |
6BAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bag by Molmil](/molmil-images/mine/6bag) | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-12 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
|
|
8OVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ovc by Molmil](/molmil-images/mine/8ovc) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
|
|
8AE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ae3 by Molmil](/molmil-images/mine/8ae3) | Cryo-EM structure of full-length human immunoglobulin M - F(ab')2 conformation 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgM C2-domain from mouse, ... | Authors: | Chen, Q, Rosenthal, P, Tolar, P. | Deposit date: | 2022-07-12 | Release date: | 2022-10-26 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Cryomicroscopy reveals the structural basis for a flexible hinge motion in the immunoglobulin M pentamer. Nat Commun, 13, 2022
|
|
6BB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bb0 by Molmil](/molmil-images/mine/6bb0) | |
5MMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mmt by Molmil](/molmil-images/mine/5mmt) | |
3NXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nxy by Molmil](/molmil-images/mine/3nxy) | Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | Descriptor: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V. | Deposit date: | 2010-07-14 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
|
|
8ADZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8adz by Molmil](/molmil-images/mine/8adz) | Cryo-EM structure of full-length human immunoglobulin M - F(ab')2 conformation 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgM C2-domain from mouse, ... | Authors: | Chen, Q, Rosenthal, P, Tolar, P. | Deposit date: | 2022-07-12 | Release date: | 2022-10-26 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Cryomicroscopy reveals the structural basis for a flexible hinge motion in the immunoglobulin M pentamer. Nat Commun, 13, 2022
|
|
3W9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w9w by Molmil](/molmil-images/mine/3w9w) | Crystal structure of DING protein | Descriptor: | DING protein, GLYCEROL, PHOSPHATE ION | Authors: | Gai, Z.Q, Nakamura, A, Tanaka, Y, Hirano, N, Tanaka, I, Yao, M. | Deposit date: | 2013-04-17 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal structure analysis, overexpression and refolding behaviour of a DING protein with single mutation. J.SYNCHROTRON RADIAT., 20, 2013
|
|
8AE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ae0 by Molmil](/molmil-images/mine/8ae0) | Cryo-EM structure of full-length human immunoglobulin M - F(ab')2 conformation 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgM C2-domain from mouse, ... | Authors: | Chen, Q, Rosenthal, P, Tolar, P. | Deposit date: | 2022-07-12 | Release date: | 2022-10-26 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Cryomicroscopy reveals the structural basis for a flexible hinge motion in the immunoglobulin M pentamer. Nat Commun, 13, 2022
|
|
8ADY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ady by Molmil](/molmil-images/mine/8ady) | Cryo-EM structure of full-length human immunoglobulin M - F(ab')2 conformation 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgM C2-domain from mouse, ... | Authors: | Chen, Q, Rosenthal, P, Tolar, P. | Deposit date: | 2022-07-12 | Release date: | 2022-10-26 | Last modified: | 2022-11-09 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Cryomicroscopy reveals the structural basis for a flexible hinge motion in the immunoglobulin M pentamer. Nat Commun, 13, 2022
|
|
5U22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u22 by Molmil](/molmil-images/mine/5u22) | Structure of N2152 from Neocallimastix frontalis | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ... | Authors: | Jones, D.R, Abbott, D.W. | Deposit date: | 2016-11-29 | Release date: | 2017-06-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Discovery and characterization of family 39 glycoside hydrolases from rumen anaerobic fungi with polyspecific activity on rare arabinosyl substrates. J. Biol. Chem., 292, 2017
|
|