8RI9
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![BU of 8ri9 by Molmil](/molmil-images/mine/8ri9) | Late alpha-Synuclein fibril structure from liquid-liquid phase separations. | Descriptor: | Alpha-synuclein | Authors: | De Simone, A, Barritt, J.D, Chen, S, Cascella, R, Cecchi, C, Bigi, A, Jarvis, J.A, Chiti, F, Dobson, C.M, Fusco, G. | Deposit date: | 2023-12-18 | Release date: | 2024-03-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-Toxicity Relationship in Intermediate Fibrils from alpha-Synuclein Condensates. J.Am.Chem.Soc., 146, 2024
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2PX1
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![BU of 2px1 by Molmil](/molmil-images/mine/2px1) | crystal structure of the complex of bovine lactoferrin C-lobe with Ribose at 2.5 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Vikram, G, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2007-05-14 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | crystal structure of the complex of bovine lactoferrin C-lobe with Ribose at 2.5 A resolution To be Published
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2XUE
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![BU of 2xue by Molmil](/molmil-images/mine/2xue) | CRYSTAL STRUCTURE OF JMJD3 | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | Authors: | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | Deposit date: | 2010-10-19 | Release date: | 2011-12-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
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4CFK
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![BU of 4cfk by Molmil](/molmil-images/mine/4cfk) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY294002 | Descriptor: | 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, BRD4 PROTEIN, ... | Authors: | Chung, C, Dittmann, A, Drewes, G. | Deposit date: | 2013-11-18 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains. Acs Chem.Biol., 9, 2014
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4CFL
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![BU of 4cfl by Molmil](/molmil-images/mine/4cfl) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH LY303511 | Descriptor: | 1,2-ETHANEDIOL, 8-phenyl-2-piperazin-1-yl-chromen-4-one, BRD4 PROTEIN, ... | Authors: | Chung, C, Dittmann, A, Drewes, G. | Deposit date: | 2013-11-18 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The Commonly Used Pi3-Kinase Probe Ly294002 is an Inhibitor of Bet Bromodomains. Acs Chem.Biol., 9, 2014
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1JQ9
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![BU of 1jq9 by Molmil](/molmil-images/mine/1jq9) | Crystal structure of a complex formed between phospholipase A2 from Daboia russelli pulchella and a designed pentapeptide Phe-Leu-Ser-Tyr-Lys at 1.8 resolution | Descriptor: | ACETIC ACID, Peptide inhibitor, Phospholipase A2 | Authors: | Chandra, V, Jasti, J, Kaur, P, Dey, S, Betzel, C, Singh, T.P. | Deposit date: | 2001-08-04 | Release date: | 2002-11-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of a Complex Formed between a Snake Venom Phospholipase A2 and a Potent Peptide Inhibitor Phe-Leu-Ser-Tyr-Lys at 1.8 A Resolution J.BIOL.CHEM., 277, 2002
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6SAR
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![BU of 6sar by Molmil](/molmil-images/mine/6sar) | E coli BepA/YfgC | Descriptor: | Beta-barrel assembly-enhancing protease, SULFATE ION, ZINC ION | Authors: | Lovering, A.L, Cadby, I.T. | Deposit date: | 2019-07-17 | Release date: | 2020-08-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Function Characterization of the Conserved Regulatory Mechanism of the Escherichia coli M48 Metalloprotease BepA. J.Bacteriol., 203, 2020
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2MPG
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![BU of 2mpg by Molmil](/molmil-images/mine/2mpg) | Solution structure of the [AibB8,LysB28,ProB29]-insulin analogue | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Kosinova, L, Jiracek, J, Zakova, L, Veverka, V. | Deposit date: | 2014-05-17 | Release date: | 2014-06-11 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Insight into the structural and biological relevance of the T/R transition of the N-terminus of the B-chain in human insulin. Biochemistry, 53, 2014
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1L3P
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![BU of 1l3p by Molmil](/molmil-images/mine/1l3p) | CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POLLEN ALLERGEN Phl p 5b | Authors: | Rajashankar, K.R, Bufe, A, Weber, W, Eschenburg, S, Lindner, B, Betzel, C. | Deposit date: | 2002-02-28 | Release date: | 2003-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the functional domain of the major grass-pollen allergen Phlp 5b. Acta Crystallogr.,Sect.D, 58, 2002
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7P6Y
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![BU of 7p6y by Molmil](/molmil-images/mine/7p6y) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef | Descriptor: | 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7P6V
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![BU of 7p6v by Molmil](/molmil-images/mine/7p6v) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7P6W
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![BU of 7p6w by Molmil](/molmil-images/mine/7p6w) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3bg | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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2PI6
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![BU of 2pi6 by Molmil](/molmil-images/mine/2pi6) | Crystal structure of the sheep signalling glycoprotein (SPS-40) complex with 2-methyl-2-4-pentanediol at 1.65A resolution reveals specific binding characteristics of SPS-40 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chitinase-3-like protein 1, ETHANOL, ... | Authors: | Sharma, P, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P. | Deposit date: | 2007-04-13 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Tryptophan as a three-way switch in regulating the function of the secretory signalling glycoprotein (SPS-40) from mammary glands: structure of SPS-40 complexed with 2-methylpentane-2,4-diol at 1.6 A resolution. Acta Crystallogr.,Sect.D, 65, 2009
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1IFM
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![BU of 1ifm by Molmil](/molmil-images/mine/1ifm) | |
7PJF
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![BU of 7pjf by Molmil](/molmil-images/mine/7pjf) | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | Descriptor: | Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | Deposit date: | 2021-08-24 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.862 Å) | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent. Embo Mol Med, 13, 2021
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7PJE
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![BU of 7pje by Molmil](/molmil-images/mine/7pje) | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent | Descriptor: | Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O. | Deposit date: | 2021-08-24 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inhibiting parasite proliferation using a rationally designed anti-tubulin agent. Embo Mol Med, 13, 2021
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5V6M
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![BU of 5v6m by Molmil](/molmil-images/mine/5v6m) | Crystal Structure of Rabbit Anti-HIV-1 gp120 V3 Fab 10A3 in complex with V3 peptide ConB | Descriptor: | CALCIUM ION, Envelope glycoprotein gp120 V3 peptide of Con B sequence, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A3, ... | Authors: | Pan, R, Kong, X.-P. | Deposit date: | 2017-03-17 | Release date: | 2018-01-17 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Increased epitope complexity correlated with antibody affinity maturation and a novel binding mode revealed by structures of rabbit antibodies against the third variable loop (V3) of HIV-1 gp120. J. Virol., 2018
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5V6L
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![BU of 5v6l by Molmil](/molmil-images/mine/5v6l) | Crystal Structure of Rabbit Anti-HIV-1 gp120 V3 Fab 10A37 in complex with V3 peptide JR-FL | Descriptor: | Envelope glycoprotein, v3 region, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V3 mAb 10A37, ... | Authors: | Pan, R, Kong, X.-P. | Deposit date: | 2017-03-17 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.549 Å) | Cite: | Increased epitope complexity correlated with antibody affinity maturation and a novel binding mode revealed by structures of rabbit antibodies against the third variable loop (V3) of HIV-1 gp120. J. Virol., 2018
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1LDG
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![BU of 1ldg by Molmil](/molmil-images/mine/1ldg) | PLASMODIUM FALCIPARUM L-LACTATE DEHYDROGENASE COMPLEXED WITH NADH AND OXAMATE | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE, OXAMIC ACID | Authors: | Dunn, C, Banfield, M, Barker, J, Higham, C, Moreton, K, Turgut-Balik, D, Brady, L, Holbrook, J.J. | Deposit date: | 1996-09-10 | Release date: | 1997-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The structure of lactate dehydrogenase from Plasmodium falciparum reveals a new target for anti-malarial design. Nat.Struct.Biol., 3, 1996
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7Q3U
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![BU of 7q3u by Molmil](/molmil-images/mine/7q3u) | Cryo-EM structure of TDP43 core peptide amyloid fiber | Descriptor: | TAR DNA-binding protein 43 | Authors: | Nazarov, S. | Deposit date: | 2021-10-28 | Release date: | 2023-03-22 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Seeding the aggregation of TDP-43 requires post-fibrillization proteolytic cleavage. Nat.Neurosci., 26, 2023
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4ASK
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![BU of 4ask by Molmil](/molmil-images/mine/4ask) | CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1 | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | Authors: | Chung, C, Mosley, J, Liddle, J. | Deposit date: | 2012-05-01 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response Nature, 488, 2012
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4F8C
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![BU of 4f8c by Molmil](/molmil-images/mine/4f8c) | |
6HAR
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![BU of 6har by Molmil](/molmil-images/mine/6har) | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | Authors: | Shahar, A, Cohen, I, Radisky, E, Papo, N. | Deposit date: | 2018-08-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J.Biol.Chem., 294, 2019
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4XTQ
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![BU of 4xtq by Molmil](/molmil-images/mine/4xtq) | Crystal structure of a mutant (C20S) of a near-infrared fluorescent protein BphP1-FP | Descriptor: | 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, BphP1-FP/C20S, CHLORIDE ION | Authors: | Pletnev, S, Malashkevich, V.N. | Deposit date: | 2015-01-23 | Release date: | 2015-12-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Molecular Basis of Spectral Diversity in Near-Infrared Phytochrome-Based Fluorescent Proteins. Chem.Biol., 22, 2015
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4Q92
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![BU of 4q92 by Molmil](/molmil-images/mine/4q92) | 1.90 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-modified Cys289 | Descriptor: | Betaine aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, SODIUM ION | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-04-28 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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