6YG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg4 by Molmil](/molmil-images/mine/6yg4) | |
6YG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg2 by Molmil](/molmil-images/mine/6yg2) | Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes | Descriptor: | 1,2-ETHANEDIOL, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, ... | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
|
|
6YG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg5 by Molmil](/molmil-images/mine/6yg5) | |
6YG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg0 by Molmil](/molmil-images/mine/6yg0) | |
6YG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yg6 by Molmil](/molmil-images/mine/6yg6) | Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor TL10-105 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | Authors: | Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
|
|
6YGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ygn by Molmil](/molmil-images/mine/6ygn) | Titin kinase and its flanking domains | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Titin | Authors: | Fleming, J.R, Franke, B, Bogomolovas, J, Mayans, O. | Deposit date: | 2020-03-27 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Titin kinase ubiquitination aligns autophagy receptors with mechanical signals in the sarcomere. Embo Rep., 22, 2021
|
|
6WBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wbs by Molmil](/molmil-images/mine/6wbs) | Human CFTR first nucleotide binding domain with dF508/V510D | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D. | Deposit date: | 2020-03-27 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect To Be Published
|
|
6WAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6waz by Molmil](/molmil-images/mine/6waz) | +1 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) | Descriptor: | HIV-1 viral RNA genome fragment, Reverse transcriptase p51 subunit, Reverse transcriptase/ribonuclease H, ... | Authors: | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V. | Deposit date: | 2020-03-26 | Release date: | 2020-06-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription. J.Mol.Biol., 432, 2020
|
|
6WB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wb0 by Molmil](/molmil-images/mine/6wb0) | +3 extended HIV-1 reverse transcriptase initiation complex core (pre-translocation state) | Descriptor: | HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ... | Authors: | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Puglisi, E.V. | Deposit date: | 2020-03-26 | Release date: | 2020-06-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription. J.Mol.Biol., 432, 2020
|
|
6WAY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6way by Molmil](/molmil-images/mine/6way) | C-terminal SH2 domain of p120RasGAP in complex with p190RhoGAP phosphotyrosine peptide | Descriptor: | Ras GTPase-activating protein 1, Rho GTPase-activating protein 35 | Authors: | Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J. | Deposit date: | 2020-03-26 | Release date: | 2020-06-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain. J.Biol.Chem., 295, 2020
|
|
6WB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wb1 by Molmil](/molmil-images/mine/6wb1) | +3 extended HIV-1 reverse transcriptase initiation complex core (intermediate state) | Descriptor: | HIV-1 viral RNA genome fragment, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, reverse transcriptase p51 subunit, ... | Authors: | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-03-26 | Release date: | 2020-06-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription. J.Mol.Biol., 432, 2020
|
|
6YF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yf8 by Molmil](/molmil-images/mine/6yf8) | DYRK1A with PST001 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide | Authors: | Rothweiler, U. | Deposit date: | 2020-03-26 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.198 Å) | Cite: | DYRK1A with PST001 To Be Published
|
|
7BR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7br3 by Molmil](/molmil-images/mine/7br3) | Crystal structure of the protein 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ... | Authors: | Cheng, L, Shao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode. Nat Commun, 11, 2020
|
|
6WB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wb2 by Molmil](/molmil-images/mine/6wb2) | +3 extended HIV-1 reverse transcriptase initiation complex core (displaced state) | Descriptor: | HIV-1 viral RNA genome fragment, Reverse transcriptase/ribonuclease H, reverse transcriptase p51 subunit, ... | Authors: | Larsen, K.P, Jackson, L.N, Kappel, K, Zhang, J, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-03-26 | Release date: | 2020-06-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Distinct Conformational States Underlie Pausing during Initiation of HIV-1 Reverse Transcription. J.Mol.Biol., 432, 2020
|
|
7BR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7br5 by Molmil](/molmil-images/mine/7br5) | Lysozyme-sugar complex in H2O | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Tanaka, I, Chatake, T. | Deposit date: | 2020-03-26 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Recent structural insights into the mechanism of lysozyme hydrolysis. Acta Crystallogr D Struct Biol, 77, 2021
|
|
6WAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wax by Molmil](/molmil-images/mine/6wax) | C-terminal SH2 domain of p120RasGAP | Descriptor: | 1,2-ETHANEDIOL, Ras GTPase-activating protein 1, SULFATE ION | Authors: | Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J. | Deposit date: | 2020-03-26 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain. J.Biol.Chem., 295, 2020
|
|
6YEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yev by Molmil](/molmil-images/mine/6yev) | |
7BQV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bqv by Molmil](/molmil-images/mine/7bqv) | Cereblon in complex with SALL4 and (S)-5-hydroxythalidomide | Descriptor: | 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione, Protein cereblon, SULFATE ION, ... | Authors: | Furihata, H, Miyauchi, Y, Asano, A, Tanokura, M, Miyakawa, T. | Deposit date: | 2020-03-25 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural bases of IMiD selectivity that emerges by 5-hydroxythalidomide. Nat Commun, 11, 2020
|
|
7BQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bqu by Molmil](/molmil-images/mine/7bqu) | Cereblon in complex with SALL4 and (S)-thalidomide | Descriptor: | Protein cereblon, S-Thalidomide, Sal-like protein 4, ... | Authors: | Furihata, H, Miyauchi, Y, Asano, A, Tanokura, M, Miyakawa, T. | Deposit date: | 2020-03-25 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural bases of IMiD selectivity that emerges by 5-hydroxythalidomide. Nat Commun, 11, 2020
|
|
5RC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rc3 by Molmil](/molmil-images/mine/5rc3) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F03a | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rcm by Molmil](/molmil-images/mine/5rcm) | PanDDA analysis group deposition -- Endothiapepsin ground state model 07 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rcz by Molmil](/molmil-images/mine/5rcz) | PanDDA analysis group deposition -- Endothiapepsin ground state model 21 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rde by Molmil](/molmil-images/mine/5rde) | PanDDA analysis group deposition -- Endothiapepsin ground state model 36 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RDR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rdr by Molmil](/molmil-images/mine/5rdr) | PanDDA analysis group deposition -- Endothiapepsin ground state model 48 | Descriptor: | Endothiapepsin | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RBZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rbz by Molmil](/molmil-images/mine/5rbz) | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E05a | Descriptor: | 2-(2-methylphenyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|