7SJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sjf by Molmil](/molmil-images/mine/7sjf) | Structure of Dehaloperoxidase B in Complex with Thymol | Descriptor: | 5-METHYL-2-(1-METHYLETHYL)PHENOL, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | Deposit date: | 2021-10-17 | Release date: | 2022-11-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes To Be Published
|
|
7SJH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sjh by Molmil](/molmil-images/mine/7sjh) | Crystal structure of dehaloperoxidase B in complex with S-(-)-limonene | Descriptor: | (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D. | Deposit date: | 2021-10-17 | Release date: | 2022-11-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes To Be Published
|
|
7Q0X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0x by Molmil](/molmil-images/mine/7q0x) | Bovine Trypsin co-crystallized with V(IV)OSO4 and pic | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | Deposit date: | 2021-10-16 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
|
|
7Q0U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0u by Molmil](/molmil-images/mine/7q0u) | Lysozyme soaked with V(IV)OSO4 and bipy | Descriptor: | 2,2'-bipyridine, ACETATE ION, CHLORIDE ION, ... | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | Deposit date: | 2021-10-16 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
|
|
7Q0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0v by Molmil](/molmil-images/mine/7q0v) | Lysozyme soaked with V(IV)OSO4 and phen | Descriptor: | 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ... | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | Deposit date: | 2021-10-16 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
|
|
7Q0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0w by Molmil](/molmil-images/mine/7q0w) | Bovine Trypsin co-crystallized with V(IV)OSO4 and phen | Descriptor: | 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | Deposit date: | 2021-10-16 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
|
|
7Q0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q0t by Molmil](/molmil-images/mine/7q0t) | Lysozyme soaked with V(IV)OSO4 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | Deposit date: | 2021-10-16 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
|
|
7SJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sj8 by Molmil](/molmil-images/mine/7sj8) | 13pf wildtype microtubule from recombinant human tubulin decorated with kinesin | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E. | Deposit date: | 2021-10-16 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7SJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sj9 by Molmil](/molmil-images/mine/7sj9) | 13pf E254A microtubule from recombinant human tubulin decorated with EB3 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Microtubule-associated protein RP/EB family member 3, ... | Authors: | LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E. | Deposit date: | 2021-10-16 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7SJ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sj7 by Molmil](/molmil-images/mine/7sj7) | Undecorated 13pf wildtype microtubule from recombinant human tubulin | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E. | Deposit date: | 2021-10-16 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7SJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sja by Molmil](/molmil-images/mine/7sja) | Undecorated 13pf E254N microtubule from recombinant human tubulin | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tubulin alpha-1B chain, ... | Authors: | LaFrance, B.J, Greber, B.J, Zhang, R, McCollum, C, Nogales, E. | Deposit date: | 2021-10-16 | Release date: | 2022-01-19 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural transitions in the GTP cap visualized by cryo-electron microscopy of catalytically inactive microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7SJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sj4 by Molmil](/molmil-images/mine/7sj4) | Human Trio residues 1284-1959 in complex with Rac1 | Descriptor: | Ras-related C3 botulinum toxin substrate 1, Triple functional domain protein | Authors: | Chen, C.-L, Ravala, S.K, Bandekar, S.J, Cash, J, Tesmer, J.J.G. | Deposit date: | 2021-10-15 | Release date: | 2022-07-06 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structural/functional studies of Trio provide insights into its configuration and show that conserved linker elements enhance its activity for Rac1. J.Biol.Chem., 298, 2022
|
|
7SJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sj3 by Molmil](/molmil-images/mine/7sj3) | Structure of CDK4-Cyclin D3 bound to abemaciclib | Descriptor: | Cyclin-dependent kinase 4, G1/S-specific cyclin-D3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | Authors: | Hilgers, M.T, Pelletier, L.A. | Deposit date: | 2021-10-15 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of CDK4-Cyclin D3 bound to abemaciclib To Be Published
|
|
7VOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vok by Molmil](/molmil-images/mine/7vok) | |
7Q06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q06 by Molmil](/molmil-images/mine/7q06) | Crystal structure of TPADO in complex with 2-OH-TPA | Descriptor: | 2-Hydroxyterephthalic acid, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2021-10-14 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Q05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q05 by Molmil](/molmil-images/mine/7q05) | Crystal structure of TPADO in complex with TPA | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ... | Authors: | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2021-10-14 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Q04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q04 by Molmil](/molmil-images/mine/7q04) | Crystal structure of TPADO in a substrate-free state | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Lysozyme, ... | Authors: | Zahn, M, Kincannon, W.M, DuBois, J.L, McGeehan, J.E. | Deposit date: | 2021-10-14 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.281 Å) | Cite: | Biochemical and structural characterization of an aromatic ring-hydroxylating dioxygenase for terephthalic acid catabolism. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7SIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7siq by Molmil](/molmil-images/mine/7siq) | |
7SIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sim by Molmil](/molmil-images/mine/7sim) | Structure of positive allosteric modulator-free active human calcium-sensing receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R. | Deposit date: | 2021-10-14 | Release date: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Symmetric activation and modulation of the human calcium-sensing receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7SIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sin by Molmil](/molmil-images/mine/7sin) | Structure of negative allosteric modulator-bound inactive human calcium-sensing receptor | Descriptor: | 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, Isoform 1 of Extracellular calcium-sensing receptor | Authors: | Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R. | Deposit date: | 2021-10-14 | Release date: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Symmetric activation and modulation of the human calcium-sensing receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7SIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sil by Molmil](/molmil-images/mine/7sil) | Structure of positive allosteric modulator-bound active human calcium-sensing receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ... | Authors: | Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R. | Deposit date: | 2021-10-14 | Release date: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Symmetric activation and modulation of the human calcium-sensing receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7SIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7siu by Molmil](/molmil-images/mine/7siu) | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | Deposit date: | 2021-10-14 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy. Acs Chem.Biol., 17, 2022
|
|
7PZO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pzo by Molmil](/molmil-images/mine/7pzo) | mite allergen Der p 3 from Dermatophagoides pteronyssinus | Descriptor: | SULFATE ION, mite allergen Der p 3 | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold. J.Biomol.Struct.Dyn., 36, 2018
|
|
7VOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7voe by Molmil](/molmil-images/mine/7voe) | Crystal structure of 5-HT2AR in complex with aripiprazole | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, ... | Authors: | Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S. | Deposit date: | 2021-10-13 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties. Nat.Neurosci., 25, 2022
|
|
7VOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vod by Molmil](/molmil-images/mine/7vod) | Crystal structure of 5-HT2AR in complex with cariprazine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S. | Deposit date: | 2021-10-13 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties. Nat.Neurosci., 25, 2022
|
|