6JV9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jv9 by Molmil](/molmil-images/mine/6jv9) | Crystal Structure of Human CRMP2 1-532, unmodified | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydropyrimidinase-related protein 2, ... | Authors: | Jiang, X, Ogawa, T, Hirokawa, N. | Deposit date: | 2019-04-16 | Release date: | 2019-10-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis. Life Sci Alliance, 2, 2019
|
|
3GYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gyt by Molmil](/molmil-images/mine/3gyt) | Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4 | Descriptor: | (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1 | Authors: | Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J. | Deposit date: | 2009-04-05 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
7XZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xzr by Molmil](/molmil-images/mine/7xzr) | Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2022-06-03 | Release date: | 2022-10-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
|
|
7XZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xzq by Molmil](/molmil-images/mine/7xzq) | Crystal structure of TNIK-thiopeptide TP1 complex | Descriptor: | 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 | Authors: | Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. | Deposit date: | 2022-06-03 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
|
|
3HFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hff by Molmil](/molmil-images/mine/3hff) | Monomeric human Cu,Zn Superoxide dismutase without Zn ligands | Descriptor: | Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Saraboji, K, Nordlund, A, Leinartait, L, Oliveberg, M, Logan, D.T. | Deposit date: | 2009-05-11 | Release date: | 2009-06-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional features cause misfolding of the ALS-provoking enzyme SOD1. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6KXA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kxa by Molmil](/molmil-images/mine/6kxa) | Galectin-3 CRD binds to GalA dimer | Descriptor: | Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid | Authors: | Su, J. | Deposit date: | 2019-09-10 | Release date: | 2020-08-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3. Glycobiology, 31, 2021
|
|
4W4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w4h by Molmil](/molmil-images/mine/4w4h) | Escherichia coli tryptophanase in holo form | Descriptor: | Tryptophanase | Authors: | Goldgur, Y. | Deposit date: | 2014-08-14 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structures of Escherichia coli tryptophanase in holo and `semi-holo' forms. Acta Crystallogr.,Sect.F, 71, 2015
|
|
6QGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qge by Molmil](/molmil-images/mine/6qge) | Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
|
|
6QGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qgf by Molmil](/molmil-images/mine/6qgf) | Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
|
|
7KBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kbq by Molmil](/molmil-images/mine/7kbq) | |
6DZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dzw by Molmil](/molmil-images/mine/6dzw) | Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv | Descriptor: | 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | Deposit date: | 2018-07-05 | Release date: | 2019-04-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport. Nature, 569, 2019
|
|
8FIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fiz by Molmil](/molmil-images/mine/8fiz) | Cryo-EM structure of E. coli 70S Ribosome containing mRNA and tRNA (in the transcription-translation complex) | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Florez Ariza, A, Wee, L, Tong, A, Canari, C, Grob, P, Nogales, E, Bustamante, C. | Deposit date: | 2022-12-18 | Release date: | 2023-03-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A trailing ribosome speeds up RNA polymerase at the expense of transcript fidelity via force and allostery. Cell, 186, 2023
|
|
8FIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fiy by Molmil](/molmil-images/mine/8fiy) | Cryo-EM structure of E. coli RNA polymerase Elongation complex in the Transcription-Translation Complex (RNAP in an anti-swiveled conformation) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Florez Ariza, A, Wee, L, Tong, A, Canari, C, Grob, P, Nogales, E, Bustamante, C. | Deposit date: | 2022-12-17 | Release date: | 2023-03-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | A trailing ribosome speeds up RNA polymerase at the expense of transcript fidelity via force and allostery. Cell, 186, 2023
|
|
8FIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fix by Molmil](/molmil-images/mine/8fix) | Cryo-EM structure of E. coli RNA polymerase backtracked elongation complex harboring a terminal mismatch | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Florez Ariza, A, Wee, L, Tong, A, Canari, C, Grob, P, Nogales, E, Bustamante, C. | Deposit date: | 2022-12-17 | Release date: | 2023-03-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | A trailing ribosome speeds up RNA polymerase at the expense of transcript fidelity via force and allostery. Cell, 186, 2023
|
|
5IRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5irc by Molmil](/molmil-images/mine/5irc) | p190A GAP domain complex with RhoA | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Derewenda, U, Derewenda, Z. | Deposit date: | 2016-03-12 | Release date: | 2016-08-17 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Deciphering the Molecular and Functional Basis of RHOGAP Family Proteins: A SYSTEMATIC APPROACH TOWARD SELECTIVE INACTIVATION OF RHO FAMILY PROTEINS. J.Biol.Chem., 291, 2016
|
|
7BPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bpp by Molmil](/molmil-images/mine/7bpp) | Solution NMR structure of NF5; de novo designed protein with a novel fold | Descriptor: | NF5 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
|
|
7BPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bpn by Molmil](/molmil-images/mine/7bpn) | Solution NMR structure of NF7; de novo designed protein with a novel fold | Descriptor: | NF7 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
|
|
7BPL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bpl by Molmil](/molmil-images/mine/7bpl) | Solution NMR structure of NF1; de novo designed protein with a novel fold | Descriptor: | NF1 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
|
|
7BPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bpm by Molmil](/molmil-images/mine/7bpm) | Solution NMR structure of NF2; de novo designed protein with a novel fold | Descriptor: | NF2 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
|
|
7BQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bqd by Molmil](/molmil-images/mine/7bqd) | Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold | Descriptor: | NF8 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-24 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
|
|
7BQS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bqs by Molmil](/molmil-images/mine/7bqs) | Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Nomur | Authors: | Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
|
|
7BQR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bqr by Molmil](/molmil-images/mine/7bqr) | Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology | Descriptor: | Mussoc | Authors: | Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
|
|
6OGP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ogp by Molmil](/molmil-images/mine/6ogp) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-063 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, 1,2-ETHANEDIOL, Protease | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
|
|
6OGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ogt by Molmil](/molmil-images/mine/6ogt) | X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-001 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
|
|
6OGL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ogl by Molmil](/molmil-images/mine/6ogl) | X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-003 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2019-04-02 | Release date: | 2020-04-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity. Sci Rep, 10, 2020
|
|