6Z1A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z1a by Molmil](/molmil-images/mine/6z1a) | Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M. | Deposit date: | 2020-05-13 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds. Nat Commun, 12, 2021
|
|
5UJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ujo by Molmil](/molmil-images/mine/5ujo) | |
6ZHH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zhh by Molmil](/molmil-images/mine/6zhh) | Ca2+-ATPase from Listeria Monocytogenes with G4 insertion. | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ... | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | Deposit date: | 2020-06-23 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation. J.Mol.Biol., 433, 2021
|
|
4DT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dt4 by Molmil](/molmil-images/mine/4dt4) | |
4DUF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4duf by Molmil](/molmil-images/mine/4duf) | cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9 | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
|
|
6ZHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zhf by Molmil](/molmil-images/mine/6zhf) | Calcium ATPase-1 from Listeria monocytogenes in complex with BeF | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, MAGNESIUM ION | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | Deposit date: | 2020-06-23 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation. J.Mol.Biol., 433, 2021
|
|
6ZHG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zhg by Molmil](/molmil-images/mine/6zhg) | Ca2+-ATPase from Listeria Monocytogenes in complex with AlF | Descriptor: | Calcium-transporting ATPase, MAGNESIUM ION, TETRAFLUOROALUMINATE ION | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | Deposit date: | 2020-06-23 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation. J.Mol.Biol., 433, 2021
|
|
4DS1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ds1 by Molmil](/molmil-images/mine/4ds1) | |
4DUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dub by Molmil](/molmil-images/mine/4dub) | cytochrome P450 BM3h-9D7 MRI sensor bound to dopamine | Descriptor: | L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 9D7 | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
|
|
4H23
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4h23 by Molmil](/molmil-images/mine/4h23) | Cytochrome P411BM3-CIS cyclopropanation catalyst | Descriptor: | Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M. | Deposit date: | 2012-09-11 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo. Nat.Chem.Biol., 9, 2013
|
|
6XSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xsu by Molmil](/molmil-images/mine/6xsu) | GH5-4 broad specificity endoglucanase from Ruminococcus flavefaciens | Descriptor: | ETHANOL, GH5-4 broad specificity endoglucanase | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-07-16 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
|
|
5SYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sys by Molmil](/molmil-images/mine/5sys) | c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor | Descriptor: | N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Dieter, E.M, Merritt, E.A, Maly, D.J. | Deposit date: | 2016-08-11 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions Mol.Cell, 2019
|
|
5SZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5szi by Molmil](/molmil-images/mine/5szi) | Structure of human Rab8a in complex with the bMERB domain of Mical-cL | Descriptor: | MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
|
|
4JA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ja3 by Molmil](/molmil-images/mine/4ja3) | Partially occluded inward open conformation of the xylose transporter XylE from E. coli | Descriptor: | CADMIUM ION, D-xylose-proton symporter, LUTETIUM (III) ION | Authors: | Quistgaard, E.M, Low, C, Moberg, P, Tresaugues, L, Nordlund, P. | Deposit date: | 2013-02-18 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis for substrate transport in the GLUT-homology family of monosaccharide transporters. Nat.Struct.Mol.Biol., 20, 2013
|
|
4JA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ja4 by Molmil](/molmil-images/mine/4ja4) | Inward open conformation of the xylose transporter XylE from E. coli | Descriptor: | CADMIUM ION, D-xylose-proton symporter | Authors: | Quistgaard, E.M, Low, C, Moberg, P, Tresaugues, L, Nordlund, P. | Deposit date: | 2013-02-18 | Release date: | 2013-05-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structural basis for substrate transport in the GLUT-homology family of monosaccharide transporters. Nat.Struct.Mol.Biol., 20, 2013
|
|
5SZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5szh by Molmil](/molmil-images/mine/5szh) | Structure of human Rab1b in complex with the bMERB domain of Mical-cL | Descriptor: | MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Goody, R.S, Mueller, M.P, Gazdag, E.M. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
|
|
5TR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tr0 by Molmil](/molmil-images/mine/5tr0) | Lipoxygenase-1 (soybean) L754A mutant at 293K | Descriptor: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | Authors: | Poss, E.M, Fraser, J.S. | Deposit date: | 2016-10-24 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network. J.Am.Chem.Soc., 141, 2019
|
|
6YWL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ywl by Molmil](/molmil-images/mine/6ywl) | Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ... | Authors: | Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
|
|
5TOP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5top by Molmil](/molmil-images/mine/5top) | |
5TQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tqp by Molmil](/molmil-images/mine/5tqp) | LIPOXYGENASE-1 (SOYBEAN) I553G MUTANT AT 300K | Descriptor: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | Authors: | Poss, E.M, Fraser, J.S. | Deposit date: | 2016-10-24 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling. ACS Cent Sci, 3, 2017
|
|
6ZL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zl7 by Molmil](/molmil-images/mine/6zl7) | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, MAGNESIUM ION, PMGL2 | Authors: | Goryaynova, D.A, Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2020-06-30 | Release date: | 2020-07-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY To Be Published
|
|
4I1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i1o by Molmil](/molmil-images/mine/4i1o) | Crystal structure of the Legionella pneumophila GAP domain of LepB in complex with Rab1b bound to GDP and BeF3 | Descriptor: | BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Gazdag, E.M, Streller, A, Vetter, I.R, Goody, R.S, Itzen, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Mechanism of Rab1b deactivation by the Legionella pneumophila GAP LepB. Embo Rep., 14, 2013
|
|
5UYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uys by Molmil](/molmil-images/mine/5uys) | Human steroidogenic cytochrome P450 17A1 with 3alphaOH-5alpha-abiraterone analog | Descriptor: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Petrunak, E.M. | Deposit date: | 2017-02-24 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
|
|
4I1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i1m by Molmil](/molmil-images/mine/4i1m) | Crystal structure of the Legionella pneumophila GAP domain of LepB | Descriptor: | DI(HYDROXYETHYL)ETHER, LepB | Authors: | Streller, A, Gazdag, E.M, Vetter, I.R, Goody, R.S, Itzen, A. | Deposit date: | 2012-11-21 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.804 Å) | Cite: | Mechanism of Rab1b deactivation by the Legionella pneumophila GAP LepB. Embo Rep., 14, 2013
|
|
6Y37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y37 by Molmil](/molmil-images/mine/6y37) | |