6DD7
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7BQY
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![BU of 7bqy by Molmil](/molmil-images/mine/7bqy) | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | Descriptor: | 3C-like proteinase, 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: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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5UE8
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![BU of 5ue8 by Molmil](/molmil-images/mine/5ue8) | The crystal structure of Munc13-1 C1C2BMUN domain | Descriptor: | CHLORIDE ION, Protein unc-13 homolog A, ZINC ION | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2016-12-29 | Release date: | 2017-02-15 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN. Elife, 6, 2017
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7C7P
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![BU of 7c7p by Molmil](/molmil-images/mine/7c7p) | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | Deposit date: | 2020-05-26 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | Descriptor: | 3C-like proteinase, boceprevir (bound form) | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | Deposit date: | 2020-08-04 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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1UP7
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![BU of 1up7 by Molmil](/molmil-images/mine/1up7) | Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | Deposit date: | 2003-09-29 | Release date: | 2004-11-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides J.Mol.Biol., 346, 2005
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1UP4
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1UP6
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![BU of 1up6 by Molmil](/molmil-images/mine/1up6) | Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ... | Authors: | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | Deposit date: | 2003-09-29 | Release date: | 2004-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima. J.Am.Chem.Soc., 126, 2004
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7D3I
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![BU of 7d3i by Molmil](/molmil-images/mine/7d3i) | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | Deposit date: | 2020-09-19 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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7BUY
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![BU of 7buy by Molmil](/molmil-images/mine/7buy) | The crystal structure of COVID-19 main protease in complex with carmofur | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid | Authors: | Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z. | Deposit date: | 2020-04-08 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Nat.Struct.Mol.Biol., 27, 2020
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3GZN
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![BU of 3gzn by Molmil](/molmil-images/mine/3gzn) | Structure of NEDD8-activating enzyme in complex with NEDD8 and MLN4924 | Descriptor: | NEDD8, NEDD8-activating enzyme E1 catalytic subunit, NEDD8-activating enzyme E1 regulatory subunit, ... | Authors: | Sintchak, M.D. | Deposit date: | 2009-04-07 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Substrate-assisted inhibition of ubiquitin-like protein-activating enzymes: the NEDD8 E1 inhibitor MLN4924 forms a NEDD8-AMP mimetic in situ. Mol.Cell, 37, 2010
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3H4N
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![BU of 3h4n by Molmil](/molmil-images/mine/3h4n) | PpcD, A cytochrome c7 from Geobacter sulfurreducens | Descriptor: | Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2009-04-20 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens. Biochim.Biophys.Acta, 1797, 2010
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3H33
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![BU of 3h33 by Molmil](/molmil-images/mine/3h33) | PpcC, A cytochrome c7 from Geobacter sulfurreducens | Descriptor: | Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2009-04-15 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens. Biochim.Biophys.Acta, 1797, 2010
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3H34
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![BU of 3h34 by Molmil](/molmil-images/mine/3h34) | PpcE, A cytochrome c7 from Geobacter sulfurreducens | Descriptor: | Cytochrome c7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pokkuluri, P.R, Schiffer, M. | Deposit date: | 2009-04-15 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural characterization of a family of cytochromes c(7) involved in Fe(III) respiration by Geobacter sulfurreducens. Biochim.Biophys.Acta, 1797, 2010
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8ZCJ
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![BU of 8zcj by Molmil](/molmil-images/mine/8zcj) | Cryo-EM structure of the pasireotide-bound SSTR5-Gi complex | Descriptor: | 004-DTR-LYS-TYR-PHA-HYP, Beta-2 adrenergic receptor,Somatostatin receptor type 5,lgbit (fusion protein), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Li, Y.G, Meng, X.Y, Yang, X.R, Ling, S.L, Shi, P, Tian, C.L, Yang, F. | Deposit date: | 2024-04-29 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural insights into somatostatin receptor 5 bound with cyclic peptides. Acta Pharmacol.Sin., 2024
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8ZBE
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![BU of 8zbe by Molmil](/molmil-images/mine/8zbe) | cryo-EM structure of the octreotide-bound SSTR5-Gi complex | Descriptor: | Beta-2 adrenergic receptor,Somatostatin receptor type 5,lgbit (fusion protein), Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Li, Y.G, Meng, X.Y, Yang, X.R, Ling, S.L, Shi, P, Tian, C.L, Yang, F. | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structural insights into somatostatin receptor 5 bound with cyclic peptides. Acta Pharmacol.Sin., 2024
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5DO4
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![BU of 5do4 by Molmil](/molmil-images/mine/5do4) | Thrombin-RNA aptamer complex | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2015-09-10 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.859 Å) | Cite: | Evoking picomolar binding in RNA by a single phosphorodithioate linkage. Nucleic Acids Res., 44, 2016
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5AYW
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![BU of 5ayw by Molmil](/molmil-images/mine/5ayw) | Structure of a membrane complex | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Huang, Y, Han, L, Zheng, J. | Deposit date: | 2015-09-14 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.555 Å) | Cite: | Structure of the BAM complex and its implications for biogenesis of outer-membrane proteins Nat.Struct.Mol.Biol., 23, 2016
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4DAC
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5DK3
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![BU of 5dk3 by Molmil](/molmil-images/mine/5dk3) | Crystal Structure of Pembrolizumab, a full length IgG4 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain, ... | Authors: | Scapin, G, Prosise, W, Reichert, P. | Deposit date: | 2015-09-02 | Release date: | 2015-11-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure of full-length human anti-PD1 therapeutic IgG4 antibody pembrolizumab. Nat.Struct.Mol.Biol., 22, 2015
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8XR2
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![BU of 8xr2 by Molmil](/molmil-images/mine/8xr2) | Crystal structure of AKRtyl-apo1 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8XR4
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![BU of 8xr4 by Molmil](/molmil-images/mine/8xr4) | Crystal structure of AKRtyl-NADP(H) complex | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8XR3
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![BU of 8xr3 by Molmil](/molmil-images/mine/8xr3) | Crystal structure of AKRtyl-apo2 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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6UXU
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![BU of 6uxu by Molmil](/molmil-images/mine/6uxu) | |
5U39
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![BU of 5u39 by Molmil](/molmil-images/mine/5u39) | Pseudomonas aeruginosa LpxC in complex with CHIR-090 | Descriptor: | N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Sprague, E.R. | Deposit date: | 2016-12-01 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design, Synthesis, and Properties of a Potent Inhibitor of Pseudomonas aeruginosa Deacetylase LpxC. J. Med. Chem., 60, 2017
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