8OM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8om9 by Molmil](/molmil-images/mine/8om9) | MutSbeta bound to (CAG)2 DNA (open form) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | MutSbeta bound to (CAG)2 DNA (open form) To Be Published
|
|
8OLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8olx by Molmil](/molmil-images/mine/8olx) | MutSbeta bound to (CAG)2 DNA (canonical form) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-30 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | MutSbeta bound to (CAG)2 DNA (canonical form) To Be Published
|
|
8OMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8omo by Molmil](/molmil-images/mine/8omo) | DNA-unbound MutSbeta-ATP complex (bent clamp form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | DNA-unbound MutSbeta-ATP complex (bent clamp form) To Be Published
|
|
8OM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8om5 by Molmil](/molmil-images/mine/8om5) | DNA-free open form of MutSbeta | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | DNA-free open form of MutSbeta To Be Published
|
|
8OMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8omq by Molmil](/molmil-images/mine/8omq) | DNA-unbound MutSbeta-ATP complex (straight clamp form) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | DNA-unbound MutSbeta-ATP complex (straight clamp form) To Be Published
|
|
8OMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oma by Molmil](/molmil-images/mine/8oma) | MutSbeta bound to 61bp homoduplex DNA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | Deposit date: | 2023-03-31 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | MutSbeta bound to 61bp homoduplex DNA To Be Published
|
|
4UHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uhp by Molmil](/molmil-images/mine/4uhp) | Crystal structure of the pyocin AP41 DNase-Immunity complex | Descriptor: | BACTERIOCIN IMMUNITY PROTEIN, LARGE COMPONENT OF PYOCIN AP41 | Authors: | Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C. | Deposit date: | 2015-03-25 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa J.Mol.Biol., 427, 2015
|
|
7S25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s25 by Molmil](/molmil-images/mine/7s25) | ROCK1 IN COMPLEX WITH LIGAND G4998 | Descriptor: | 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1 | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | Deposit date: | 2021-09-03 | Release date: | 2022-10-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.337 Å) | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
|
|
7S26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s26 by Molmil](/molmil-images/mine/7s26) | ROCK1 IN COMPLEX WITH LIGAND G5018 | Descriptor: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1 | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | Deposit date: | 2021-09-03 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.744 Å) | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
|
|
6R9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r9t by Molmil](/molmil-images/mine/6r9t) | Cryo-EM structure of autoinhibited human talin-1 | Descriptor: | Talin-1 | Authors: | Dedden, D, Schumacher, S, Zacharias, M, Biertumpfel, C, Mizuno, N. | Deposit date: | 2019-04-04 | Release date: | 2019-10-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | The Architecture of Talin1 Reveals an Autoinhibition Mechanism. Cell, 179, 2019
|
|
6H3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h3t by Molmil](/molmil-images/mine/6h3t) | Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 1C11 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | Deposit date: | 2018-07-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.836 Å) | Cite: | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
|
|
6H3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h3s by Molmil](/molmil-images/mine/6h3s) | Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Envelopment polyprotein, ... | Authors: | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | Deposit date: | 2018-07-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.023 Å) | Cite: | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
|
|
6H3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h3x by Molmil](/molmil-images/mine/6h3x) | Oropouche Virus Glycoprotein Gc Head Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Polyprotein, ... | Authors: | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | Deposit date: | 2018-07-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
|
|
6H3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h3v by Molmil](/molmil-images/mine/6h3v) | Bunyamwera Virus Glycoprotein Gc Head Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Envelopment polyprotein | Authors: | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | Deposit date: | 2018-07-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
|
|
6H3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h3w by Molmil](/molmil-images/mine/6h3w) | La Crosse Virus Glycoprotein Gc Head Domain | Descriptor: | Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | Deposit date: | 2018-07-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
|
|
6HDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hdc by Molmil](/molmil-images/mine/6hdc) | Crystal structure of the potassium channel MtTMEM175 T38A variant in complex with a Nanobody-MBP fusion protein | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein,Maltose/maltodextrin-binding periplasmic protein, POTASSIUM ION, ... | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | Deposit date: | 2018-08-17 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural basis for ion selectivity in TMEM175 K+channels. Elife, 9, 2020
|
|
6HDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hdb by Molmil](/molmil-images/mine/6hdb) | Crystal structure of the potassium channel MtTMEM175 with zinc | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, POTASSIUM ION, ... | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | Deposit date: | 2018-08-17 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for ion selectivity in TMEM175 K+channels. Elife, 9, 2020
|
|
6HK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hk4 by Molmil](/molmil-images/mine/6hk4) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | Descriptor: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
|
|
6HD9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hd9 by Molmil](/molmil-images/mine/6hd9) | Crystal structure of the potassium channel MtTMEM175 with rubidium | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, RUBIDIUM ION, ... | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | Deposit date: | 2018-08-17 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis for ion selectivity in TMEM175 K+channels. Elife, 9, 2020
|
|
2J8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j8a by Molmil](/molmil-images/mine/2j8a) | X-ray structure of the N-terminus RRM domain of Set1 | Descriptor: | HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC | Authors: | Tresaugues, L, Dehe, P.M, Guerois, R, Rodriguez-Gil, A, Varlet, I, Salah, P, Pamblanco, M, Luciano, P, Quevillon-Cheruel, S, Sollier, J, Leulliot, N, Couprie, J, Tordera, V, Zinn-Justin, S, Chavez, S, Van Tilbeurgh, H, Geli, V. | Deposit date: | 2006-10-24 | Release date: | 2007-03-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-Ray Structure of the N-Terminus Rrm Domain of Set1 To be Published
|
|
6HK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hk3 by Molmil](/molmil-images/mine/6hk3) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
|
|
6HK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hk7 by Molmil](/molmil-images/mine/6hk7) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | Deposit date: | 2018-09-05 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
|
|
6HDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hda by Molmil](/molmil-images/mine/6hda) | Crystal structure of the potassium channel MtTMEM175 with cesium | Descriptor: | CESIUM ION, DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, ... | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | Deposit date: | 2018-08-17 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis for ion selectivity in TMEM175 K+channels. Elife, 9, 2020
|
|
6H3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h3u by Molmil](/molmil-images/mine/6h3u) | Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | Deposit date: | 2018-07-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.168 Å) | Cite: | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
|
|
6R5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r5w by Molmil](/molmil-images/mine/6r5w) | Crystal structure of the receptor binding protein (gp15) of Listeria phage PSA | Descriptor: | ACETATE ION, CADMIUM ION, Gp15 protein, ... | Authors: | Dunne, M, Ernst, P, Pluckthun, A, Loessner, M.J, Kilcher, S. | Deposit date: | 2019-03-25 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Reprogramming Bacteriophage Host Range through Structure-Guided Design of Chimeric Receptor Binding Proteins. Cell Rep, 29, 2019
|
|