6XOH
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![BU of 6xoh by Molmil](/molmil-images/mine/6xoh) | Structure of SUMO1-ML00789344 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOI
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![BU of 6xoi by Molmil](/molmil-images/mine/6xoi) | Structure of SUMO1-ML00752641 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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7T1Z
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![BU of 7t1z by Molmil](/molmil-images/mine/7t1z) | Structure of the Fbw7-Skp1-MycNdegron complex | Descriptor: | F-box/WD repeat-containing protein 7, Myc proto-oncogene N terminal degron, S-phase kinase-associated protein 1, ... | Authors: | Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N. | Deposit date: | 2021-12-02 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor. Sci Adv, 8, 2022
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7T1Y
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![BU of 7t1y by Molmil](/molmil-images/mine/7t1y) | Structure of the Fbw7-Skp1-MycCdegron complex | Descriptor: | F-box/WD repeat-containing protein 7, Myc proto-oncogene protein C terminal degron, S-phase kinase-associated protein 1, ... | Authors: | Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N. | Deposit date: | 2021-12-02 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor. Sci Adv, 8, 2022
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8PHI
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![BU of 8phi by Molmil](/molmil-images/mine/8phi) | Crystal structure of prefusion-stabilized RSV F Variant DS-Cav1 in complex with Lonafarnib | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, CALCIUM ION, ... | Authors: | Rajak, M, Krey, T. | Deposit date: | 2023-06-19 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor. Nat Commun, 15, 2024
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6X3N
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![BU of 6x3n by Molmil](/molmil-images/mine/6x3n) | Co-structure of BTK kinase domain with L-005085737 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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6X3O
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![BU of 6x3o by Molmil](/molmil-images/mine/6x3o) | Co-structure of BTK kinase domain with L-005191930 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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6X3P
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![BU of 6x3p by Molmil](/molmil-images/mine/6x3p) | Co-structure of BTK kinase domain with L-005298385 inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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8HFS
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![BU of 8hfs by Molmil](/molmil-images/mine/8hfs) | The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis | Descriptor: | Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ... | Authors: | Wang, J.W. | Deposit date: | 2022-11-12 | Release date: | 2023-02-08 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin. Appl.Environ.Microbiol., 89, 2023
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8PH4
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![BU of 8ph4 by Molmil](/molmil-images/mine/8ph4) | Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ... | Authors: | Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H. | Deposit date: | 2023-06-18 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies. Acs Chem.Biol., 19, 2024
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4M49
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![BU of 4m49 by Molmil](/molmil-images/mine/4m49) | Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-(5-amino-6-{[(1R)-1-phenylethyl]amino}pyrazin-2-yl)-4-chlorobenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2013-08-06 | Release date: | 2013-09-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 23, 2013
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7TEO
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![BU of 7teo by Molmil](/molmil-images/mine/7teo) | Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle in complex with FUB1 | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | Deposit date: | 2022-01-05 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Yeast PI31 inhibits the proteasome by a direct multisite mechanism. Nat.Struct.Mol.Biol., 29, 2022
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7TEJ
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![BU of 7tej by Molmil](/molmil-images/mine/7tej) | Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | Deposit date: | 2022-01-05 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Yeast PI31 inhibits the proteasome by a direct multisite mechanism. Nat.Struct.Mol.Biol., 29, 2022
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7X08
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![BU of 7x08 by Molmil](/molmil-images/mine/7x08) | S protein of SARS-CoV-2 in complex with 2G1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | Deposit date: | 2022-02-21 | Release date: | 2022-03-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD. Cell Discov, 8, 2022
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8DOL
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![BU of 8dol by Molmil](/molmil-images/mine/8dol) | Mechanism of regulation of the Helicobacter pylori Cagbeta ATPase by CagZ | Descriptor: | Cag pathogenicity island protein (Cag5), DI(HYDROXYETHYL)ETHER, SULFATE ION | Authors: | Wu, X, Zhao, Y, Yang, W, Sun, L, Ye, X, Jiang, M, Wang, Q, Wang, Q, Zhang, X, Wu, Y. | Deposit date: | 2022-07-13 | Release date: | 2023-02-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanism of regulation of the Helicobacter pylori Cag beta ATPase by CagZ. Nat Commun, 14, 2023
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4ME3
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![BU of 4me3 by Molmil](/molmil-images/mine/4me3) | 1.8 Angstrom Crystal Structure of the N-terminal Domain of an Archaeal MCM | Descriptor: | DNA replication licensing factor MCM related protein, ZINC ION | Authors: | Fu, Y, Slaymaker, I.M, Wang, G, Chen, X.S. | Deposit date: | 2013-08-24 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | The 1.8- angstrom Crystal Structure of the N-Terminal Domain of an Archaeal MCM as a Right-Handed Filament. J.Mol.Biol., 426, 2014
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4DOU
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![BU of 4dou by Molmil](/molmil-images/mine/4dou) | Crystal Structure of a Single-chain Trimer of Human Adiponectin Globular Domain | Descriptor: | 1,2-ETHANEDIOL, Adiponectin, CALCIUM ION, ... | Authors: | Min, X, Walker, N.P, Wang, Z. | Deposit date: | 2012-02-10 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a single-chain trimer of human adiponectin globular domain. Febs Lett., 586, 2012
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8OYP
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![BU of 8oyp by Molmil](/molmil-images/mine/8oyp) | Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic | Descriptor: | CADMIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I. | Deposit date: | 2023-05-05 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity. J.Biol.Chem., 299, 2023
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1HAA
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![BU of 1haa by Molmil](/molmil-images/mine/1haa) | A beta-Hairpin Structure in a 13-mer Peptide that Binds a-Bungarotoxin with High Affinity and Neutralizes its Toxicity | Descriptor: | ALPHA-BUNGAROTOXIN, PEPTIDE | Authors: | Scherf, T, Kasher, R, Balass, M, Fridkin, M, Fuchs, S, Katchalski-Katzir, E. | Deposit date: | 2001-04-05 | Release date: | 2001-05-25 | Last modified: | 2017-02-08 | Method: | SOLUTION NMR | Cite: | A Beta-Hairpin Structure in a 13-mer Peptide that Binds Alpha-Bungarotoxin with High Affinity and Neutralizes its Toxicity Proc.Natl.Acad.Sci.USA, 98, 2001
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1GR5
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![BU of 1gr5 by Molmil](/molmil-images/mine/1gr5) | Solution Structure of apo GroEL by Cryo-Electron microscopy | Descriptor: | 60 KDA CHAPERONIN | Authors: | Ranson, N.A, Farr, G.W, Roseman, A.M, Gowen, B, Fenton, W.A, Horwich, A.L, Saibil, H.R. | Deposit date: | 2001-12-14 | Release date: | 2002-01-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | ATP-Bound States of Groel Captured by Cryo-Electron Microscopy. Cell(Cambridge,Mass.), 107, 2001
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6WJ5
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![BU of 6wj5 by Molmil](/molmil-images/mine/6wj5) | Structure of human TRPA1 in complex with inhibitor GDC-0334 | Descriptor: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | Deposit date: | 2020-04-11 | Release date: | 2021-02-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment. J.Exp.Med., 218, 2021
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7LQ7
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![BU of 7lq7 by Molmil](/molmil-images/mine/7lq7) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2021-02-13 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern. Sci Transl Med, 13, 2021
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8HKC
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![BU of 8hkc by Molmil](/molmil-images/mine/8hkc) | Cryo-EM structure of E. coli RNAP sigma32 complex | Descriptor: | DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Wu, S, Ma, L.X. | Deposit date: | 2022-11-25 | Release date: | 2023-05-31 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structural Insight into the Mechanism of sigma 32-Mediated Transcription Initiation of Bacterial RNA Polymerase. Biomolecules, 13, 2023
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4DCH
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![BU of 4dch by Molmil](/molmil-images/mine/4dch) | Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations | Descriptor: | (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | Authors: | Greasley, S.E, Hickey, M, Feng, J, Garcia, E. | Deposit date: | 2012-01-17 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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4DOM
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![BU of 4dom by Molmil](/molmil-images/mine/4dom) | |