7ZWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zwg by Molmil](/molmil-images/mine/7zwg) | The Crystal structure of RO4493940 bound to CK2alpha | Descriptor: | (5~{Z})-5-(quinolin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2022-05-19 | Release date: | 2023-05-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 20, 2024
|
|
7ZWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zwe by Molmil](/molmil-images/mine/7zwe) | The Crystal structure of GW8695 bound to CK2alpha | Descriptor: | 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2022-05-19 | Release date: | 2023-05-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 20, 2024
|
|
7A4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a4q by Molmil](/molmil-images/mine/7a4q) | The Crystal structure of RO4613269 bound to CK2alpha | Descriptor: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2020-08-20 | Release date: | 2022-06-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors. Nat.Chem.Biol., 2023
|
|
5TRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5trx by Molmil](/molmil-images/mine/5trx) | Room temperature structure of an extradiol ring-cleaving dioxygenase from B.fuscum determined using serial femtosecond crystallography | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (II) ION, ... | Authors: | Kovaleva, E.G, Oberthuer, D, Tolstikova, A, Mariani, V. | Deposit date: | 2016-10-27 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Double-flow focused liquid injector for efficient serial femtosecond crystallography Sci. Rep., 7, 2017
|
|
5U5Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u5q by Molmil](/molmil-images/mine/5u5q) | 12 Subunit RNA Polymerase II at Room Temperature collected using SFX | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Bushnell, D.A, Oberthur, D, Mariani, V, Yefanov, O, Tolstikova, A, Barty, A. | Deposit date: | 2016-12-07 | Release date: | 2017-03-29 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Double-flow focused liquid injector for efficient serial femtosecond crystallography. Sci Rep, 7, 2017
|
|
7P4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p4e by Molmil](/molmil-images/mine/7p4e) | Crystal structure of PPARgamma in complex with compound FL217 | Descriptor: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ... | Authors: | Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-11 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors. J.Med.Chem., 64, 2021
|
|
7P4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p4k by Molmil](/molmil-images/mine/7p4k) | Soluble epoxide hydrolase in complex with FL217 | Descriptor: | Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | Authors: | Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-11 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors. J.Med.Chem., 64, 2021
|
|
4FE1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fe1 by Molmil](/molmil-images/mine/4fe1) | Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T. | Deposit date: | 2012-05-29 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.9228 Å) | Cite: | Improving the accuracy of macromolecular structure refinement at 7 A resolution. Structure, 20, 2012
|
|
7B83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b83 by Molmil](/molmil-images/mine/7b83) | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
|
|
3MOR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mor by Molmil](/molmil-images/mine/3mor) | Crystal structure of Cathepsin B from Trypanosoma Brucei | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... | Authors: | Cupelli, K, Stehle, T. | Deposit date: | 2010-04-23 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | In vivo protein crystallization opens new routes in structural biology. Nat.Methods, 9, 2012
|
|
7AQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aqe by Molmil](/molmil-images/mine/7aqe) | Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P, Meents, A. | Deposit date: | 2020-10-21 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
|
|
6QXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qxw by Molmil](/molmil-images/mine/6qxw) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 24344 patterns merged (3 chips) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
6QXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qxy by Molmil](/molmil-images/mine/6qxy) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 8813 patterns merged (1 chip) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
6QY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qy2 by Molmil](/molmil-images/mine/6qy2) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 750 patterns merged | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
6QY5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qy5 by Molmil](/molmil-images/mine/6qy5) | Pink beam serial crystallography: Lysozyme, 1 us exposure, 4448 patterns merged (1 chip) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
6QXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qxv by Molmil](/molmil-images/mine/6qxv) | Pink beam serial crystallography: Proteinase K, 1 us exposure, 1585 patterns merged (2 chips) | Descriptor: | CALCIUM ION, CHLORIDE ION, Proteinase K, ... | Authors: | Tolstikova, A, Oberthuer, D, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
6QY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qy0 by Molmil](/molmil-images/mine/6qy0) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 3000 patterns merged | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
6QY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qy4 by Molmil](/molmil-images/mine/6qy4) | Pink beam serial crystallography: Lysozyme, 1 us exposure, 14793 patterns merged | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
6QY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qy1 by Molmil](/molmil-images/mine/6qy1) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 1500 patterns merged | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
6QXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qxx by Molmil](/molmil-images/mine/6qxx) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 14793 patterns merged | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
|
|
5O7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o7m by Molmil](/molmil-images/mine/5o7m) | Single-shot pink beam serial crystallography: Phycocyanin (One chip, chip_1) | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | Deposit date: | 2017-06-09 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Pink-beam serial crystallography. Nat Commun, 8, 2017
|
|
5MJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mjq by Molmil](/molmil-images/mine/5mjq) | Single-shot pink beam serial crystallography: Phycocyanin (One chip) | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | Deposit date: | 2016-12-01 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Pink-beam serial crystallography. Nat Commun, 8, 2017
|
|
5NK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nk3 by Molmil](/molmil-images/mine/5nk3) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1l | Descriptor: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.586 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
|
|
5NKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nkc by Molmil](/molmil-images/mine/5nkc) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2h | Descriptor: | (3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.448 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
|
|
5NK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nk7 by Molmil](/molmil-images/mine/5nk7) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2a | Descriptor: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
|
|