3E51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e51 by Molmil](/molmil-images/mine/3e51) | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-08-12 | Release date: | 2009-08-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg.Med.Chem.Lett., 18, 2008
|
|
1WOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wof by Molmil](/molmil-images/mine/1wof) | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z. | Deposit date: | 2004-08-18 | Release date: | 2005-08-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol., 3, 2005
|
|
1VJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vji by Molmil](/molmil-images/mine/1vji) | Gene Product of At1g76680 from Arabidopsis thaliana | Descriptor: | 12-oxophytodienoate reductase (OPR1), FLAVIN MONONUCLEOTIDE | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Johnson, K.A, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-02-24 | Release date: | 2004-03-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | X-ray structure of Arabidopsis At1g77680, 12-oxophytodienoate reductase isoform 1. Proteins, 61, 2005
|
|
7DR6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dr6 by Molmil](/molmil-images/mine/7dr6) | PA28alpha-beta in complex with immunoproteasome | Descriptor: | Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ... | Authors: | Cong, Y, Xu, C. | Deposit date: | 2020-12-26 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta. Nat Commun, 12, 2021
|
|
7DR7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dr7 by Molmil](/molmil-images/mine/7dr7) | bovine 20S immunoproteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Xu, C, Cong, Y. | Deposit date: | 2020-12-26 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta. Nat Commun, 12, 2021
|
|
7DRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7drw by Molmil](/molmil-images/mine/7drw) | Bovine 20S immunoproteasome in complex with two human PA28alpha-beta activators | Descriptor: | Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ... | Authors: | Cong, Y, Xu, C. | Deposit date: | 2020-12-29 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta. Nat Commun, 12, 2021
|
|
2Q8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q8t by Molmil](/molmil-images/mine/2q8t) | Crystal Structure of the CC chemokine CCL14 | Descriptor: | CCL14 | Authors: | Blain, K.Y. | Deposit date: | 2007-06-11 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and Functional Characterization of CC Chemokine CCL14 Biochemistry, 46, 2007
|
|
2Q6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q6d by Molmil](/molmil-images/mine/2q6d) | Crystal structure of infectious bronchitis virus (IBV) main protease | Descriptor: | Infectious bronchitis virus (IBV) main protease | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | Deposit date: | 2007-06-04 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design. J.Virol., 82, 2008
|
|
2Q6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q6g by Molmil](/molmil-images/mine/2q6g) | Crystal structure of SARS-CoV main protease H41A mutant in complex with an N-terminal substrate | Descriptor: | Polypeptide chain, severe acute respiratory syndrome coronavirus (SARS-CoV) | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | Deposit date: | 2007-06-05 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design. J.Virol., 82, 2008
|
|
2Q6F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q6f by Molmil](/molmil-images/mine/2q6f) | Crystal structure of infectious bronchitis virus (IBV) main protease in complex with a Michael acceptor inhibitor N3 | Descriptor: | Infectious bronchitis virus (IBV) main protease, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | Deposit date: | 2007-06-05 | Release date: | 2008-02-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design. J.Virol., 82, 2008
|
|
2Q8R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q8r by Molmil](/molmil-images/mine/2q8r) | |
6WI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wi7 by Molmil](/molmil-images/mine/6wi7) | RING1B-BMI1 fusion in closed conformation | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1 chimera, ... | Authors: | Cho, H.J, Cierpicki, T. | Deposit date: | 2020-04-08 | Release date: | 2021-04-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
|
|
6WI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wi8 by Molmil](/molmil-images/mine/6wi8) | |
6XFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xfv by Molmil](/molmil-images/mine/6xfv) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST | Descriptor: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma | Authors: | Sack, J.S. | Deposit date: | 2020-06-16 | Release date: | 2020-08-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR gamma t inverse agonists. Bioorg.Med.Chem.Lett., 30, 2020
|
|
6LF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lf5 by Molmil](/molmil-images/mine/6lf5) | The solution structure of ShSPI | Descriptor: | ShSPI | Authors: | Luan, N, Rong, M.Q, Liu, J.X, Lai, R. | Deposit date: | 2019-11-29 | Release date: | 2020-12-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Identification and Characterization of ShSPI, a Kazal-Type Elastase Inhibitor from the Venom of Scolopendra Hainanum . Toxins, 11, 2019
|
|
6KOW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kow by Molmil](/molmil-images/mine/6kow) | |
6J2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j2w by Molmil](/molmil-images/mine/6j2w) | The structure of OBA3-OTA complex | Descriptor: | DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine | Authors: | Xu, G.H, Li, C.G. | Deposit date: | 2019-01-03 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure-guided post-SELEX optimization of an ochratoxin A aptamer. Nucleic Acids Res., 47, 2019
|
|
4GAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gax by Molmil](/molmil-images/mine/4gax) | Crystal Structure of an alpha-Bisabolol synthase mutant | Descriptor: | Amorpha-4,11-diene synthase | Authors: | Li, J, Peng, Z. | Deposit date: | 2012-07-26 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9948 Å) | Cite: | Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency. Biochem.J., 451, 2013
|
|
5CDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cdi by Molmil](/molmil-images/mine/5cdi) | Chloroplast chaperonin 60b1 of Chlamydomonas | Descriptor: | Chaperonin 60B1 | Authors: | Zhang, S, Zhou, H, Yu, F, Gao, F, He, J, Liu, C. | Deposit date: | 2015-07-04 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.807 Å) | Cite: | Structural insight into the cooperation of chloroplast chaperonin subunits Bmc Biol., 14, 2016
|
|
5CMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cma by Molmil](/molmil-images/mine/5cma) | Anti-B7-H3 monoclonal antibody ch8H9 Fab fragment | Descriptor: | Antibody ch8H9 Fab heavy chain, Antibody ch8H9 Fab light chain | Authors: | Ahmed, M, Goldgur, Y, Cheng, M, Cheung, N.K. | Deposit date: | 2015-07-16 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Humanized Affinity-matured Monoclonal Antibody 8H9 Has Potent Antitumor Activity and Binds to FG Loop of Tumor Antigen B7-H3. J.Biol.Chem., 290, 2015
|
|
4FJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fjq by Molmil](/molmil-images/mine/4fjq) | Crystal Structure of an alpha-Bisabolol synthase | Descriptor: | Amorpha-4,11-diene synthase | Authors: | Jianxu, L, Peng, Z. | Deposit date: | 2012-06-12 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0001 Å) | Cite: | Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency. Biochem.J., 451, 2013
|
|
1H66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h66 by Molmil](/molmil-images/mine/1h66) | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone | Descriptor: | 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2001-06-06 | Release date: | 2001-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones Structure, 9, 2001
|
|
1H69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h69 by Molmil](/molmil-images/mine/1h69) | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION | Descriptor: | 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2001-06-08 | Release date: | 2001-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones Structure, 9, 2001
|
|
1GG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gg5 by Molmil](/molmil-images/mine/1gg5) | CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION | Descriptor: | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Winski, S, Hargreaves, R, Moody, C.J, Hudnott, A.R, Ross, D, Amzel, L.M. | Deposit date: | 2000-07-12 | Release date: | 2001-09-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based development of anticancer drugs: complexes of NAD(P)H:quinone oxidoreductase 1 with chemotherapeutic quinones. Structure, 9, 2001
|
|
6INC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6inc by Molmil](/molmil-images/mine/6inc) | Crystal structure of an acetolactate decarboxylase from Klebsiella pneumoniae | Descriptor: | 1,2-ETHANEDIOL, Alpha-acetolactate decarboxylase, CHLORIDE ION, ... | Authors: | Wu, W, Zhang, Q, Bartlam, M. | Deposit date: | 2018-10-24 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Structural characterization of an acetolactate decarboxylase from Klebsiella pneumoniae Biochem. Biophys. Res. Commun., 509, 2019
|
|