7RN1
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1Z2D
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![BU of 1z2d by Molmil](/molmil-images/mine/1z2d) | Solution Structure of Bacillus subtilis ArsC in reduced state | Descriptor: | Arsenate reductase | Authors: | Jin, C, Li, Y. | Deposit date: | 2005-03-08 | Release date: | 2005-10-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structures and Backbone Dynamics of Arsenate Reductase from Bacillus subtilis: REVERSIBLE CONFORMATIONAL SWITCH ASSOCIATED WITH ARSENATE REDUCTION J.Biol.Chem., 280, 2005
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1Z2E
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![BU of 1z2e by Molmil](/molmil-images/mine/1z2e) | Solution Structure of Bacillus subtilis ArsC in oxidized state | Descriptor: | Arsenate reductase | Authors: | Jin, C, Li, Y. | Deposit date: | 2005-03-08 | Release date: | 2005-10-04 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution Structures and Backbone Dynamics of Arsenate Reductase from Bacillus subtilis: REVERSIBLE CONFORMATIONAL SWITCH ASSOCIATED WITH ARSENATE REDUCTION J.Biol.Chem., 280, 2005
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6DL2
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![BU of 6dl2 by Molmil](/molmil-images/mine/6dl2) | BRD4 bromodomain 1 in complex with HYB157 | Descriptor: | 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4 | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-05-31 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression. J. Med. Chem., 61, 2018
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3GYP
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![BU of 3gyp by Molmil](/molmil-images/mine/3gyp) | Rtt106p | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Histone chaperone RTT106 | Authors: | Liu, Y, Huang, H, Shi, Y, Teng, M. | Deposit date: | 2009-04-04 | Release date: | 2009-12-08 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Structural analysis of Rtt106p reveals a DNA-binding role required for heterochromatin silencing J.Biol.Chem., 285, 2010
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2B5Y
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2B5X
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3GYO
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![BU of 3gyo by Molmil](/molmil-images/mine/3gyo) | Se-Met Rtt106p | Descriptor: | Histone chaperone RTT106 | Authors: | Liu, Y, Huang, H, Shi, Y, Teng, M. | Deposit date: | 2009-04-04 | Release date: | 2009-12-08 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural analysis of Rtt106p reveals a DNA-binding role required for heterochromatin silencing J.Biol.Chem., 285, 2010
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8DDI
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8DDM
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3LHG
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![BU of 3lhg by Molmil](/molmil-images/mine/3lhg) | Bace1 in complex with the aminohydantoin Compound 4g | Descriptor: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2010-01-22 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyridinyl aminohydantoins as small molecule BACE1 inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7KW1
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![BU of 7kw1 by Molmil](/molmil-images/mine/7kw1) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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7KVX
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![BU of 7kvx by Molmil](/molmil-images/mine/7kvx) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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5KUC
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![BU of 5kuc by Molmil](/molmil-images/mine/5kuc) | Crystal structure of trypsin activated Cry6Aa | Descriptor: | Pesticidal crystal protein Cry6Aa | Authors: | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E. | Deposit date: | 2016-07-13 | Release date: | 2016-08-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins. Bmc Biol., 14, 2016
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7LYI
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![BU of 7lyi by Molmil](/molmil-images/mine/7lyi) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3 | Descriptor: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. Acs Pharmacol Transl Sci, 4, 2021
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7LYH
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![BU of 7lyh by Molmil](/molmil-images/mine/7lyh) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1 | Descriptor: | 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2021-03-07 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. Acs Pharmacol Transl Sci, 4, 2021
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5KUD
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![BU of 5kud by Molmil](/molmil-images/mine/5kud) | Crystal structure of full length Cry6Aa | Descriptor: | Pesticidal crystal protein Cry6Aa | Authors: | Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K. | Deposit date: | 2016-07-13 | Release date: | 2016-08-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins. Bmc Biol., 14, 2016
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6IJ1
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![BU of 6ij1 by Molmil](/molmil-images/mine/6ij1) | Crystal structure of a protein from Actinoplanes | Descriptor: | ACETATE ION, IMIDAZOLE, Prenylcyclase | Authors: | Yang, Z.Z, Zhang, L.L, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-10-08 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Crystal structure of TchmY from Actinoplanes teichomyceticus. Acta Crystallogr.,Sect.F, 75, 2019
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7KX5
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![BU of 7kx5 by Molmil](/molmil-images/mine/7kx5) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | Descriptor: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2020-12-03 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. J.Am.Chem.Soc., 143, 2021
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5ITI
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![BU of 5iti by Molmil](/molmil-images/mine/5iti) | A cynobacterial PP2C (tPphA) structure | Descriptor: | CALCIUM ION, Protein serin-threonin phosphatase | Authors: | Su, J.Y. | Deposit date: | 2016-03-16 | Release date: | 2016-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition Catalysts, 6, 2016
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6PMJ
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![BU of 6pmj by Molmil](/molmil-images/mine/6pmj) | Sigm28-transcription initiation complex with specific promoter at the state 2 | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Liu, B, Shi, W. | Deposit date: | 2019-07-02 | Release date: | 2020-05-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain. Embo J., 39, 2020
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5TJX
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![BU of 5tjx by Molmil](/molmil-images/mine/5tjx) | Structure of human plasma kallikrein | Descriptor: | (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION, Plasma kallikrein | Authors: | Partridge, J.R, Choy, R.M, Li, Z. | Deposit date: | 2016-10-05 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors. ACS Med Chem Lett, 8, 2017
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3L38
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![BU of 3l38 by Molmil](/molmil-images/mine/3l38) | Bace1 in complex with the aminopyridine Compound 44 | Descriptor: | 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1 | Authors: | Olland, A.M, Chopra, R. | Deposit date: | 2009-12-16 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3L3A
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![BU of 3l3a by Molmil](/molmil-images/mine/3l3a) | Bace-1 with the aminopyridine Compound 32 | Descriptor: | 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1 | Authors: | Olland, A.M, Chopra, R. | Deposit date: | 2009-12-16 | Release date: | 2010-04-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.362 Å) | Cite: | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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7M71
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![BU of 7m71 by Molmil](/molmil-images/mine/7m71) | SARS-CoV-2 Spike:5A6 Fab complex I focused refinement | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ... | Authors: | Asarnow, D, Cheng, Y. | Deposit date: | 2021-03-26 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia. Cell, 184, 2021
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