6ZYO
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![BU of 6zyo by Molmil](/molmil-images/mine/6zyo) | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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6ZYR
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![BU of 6zyr by Molmil](/molmil-images/mine/6zyr) | Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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6ZYS
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![BU of 6zys by Molmil](/molmil-images/mine/6zys) | Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.87000954 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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5X6N
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![BU of 5x6n by Molmil](/molmil-images/mine/5x6n) | Structure of P. Knowlesi DBL Domain Capable of binding Human Duffy Antigen | Descriptor: | Duffy binding protein, SULFATE ION, octyl beta-D-glucopyranoside | Authors: | Singh, S.K, Hora, R, Belrhali, H, Chitnis, C, Sharma, A. | Deposit date: | 2017-02-22 | Release date: | 2017-03-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for Duffy recognition by the malaria parasite Duffy-binding-like domain Nature, 439, 2006
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3LK8
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![BU of 3lk8 by Molmil](/molmil-images/mine/3lk8) | |
4NWL
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![BU of 4nwl by Molmil](/molmil-images/mine/4nwl) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | Descriptor: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | Authors: | Muckelbauer, J.K, Klei, H.E. | Deposit date: | 2013-12-06 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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6ZYN
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![BU of 6zyn by Molmil](/molmil-images/mine/6zyn) | Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4000138 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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6ZYP
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![BU of 6zyp by Molmil](/molmil-images/mine/6zyp) | Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b | Descriptor: | (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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6ZYQ
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![BU of 6zyq by Molmil](/molmil-images/mine/6zyq) | Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b | Descriptor: | (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2020-08-02 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases. Chem Sci, 12, 2021
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8F1I
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![BU of 8f1i by Molmil](/molmil-images/mine/8f1i) | SigN RNA polymerase early-melted intermediate bound to mismatch fragment dhsU36mm1 (-12T) | Descriptor: | DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Mueller, A.U, Chen, J, Darst, S.A. | Deposit date: | 2022-11-05 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A general mechanism for transcription bubble nucleation in bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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8F1J
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![BU of 8f1j by Molmil](/molmil-images/mine/8f1j) | SigN RNA polymerase early-melted intermediate bound to mismatch DNA fragment dhsU36mm2 (-12A) | Descriptor: | DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Mueller, A.U, Chen, J, Darst, S.A. | Deposit date: | 2022-11-05 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A general mechanism for transcription bubble nucleation in bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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8F1K
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![BU of 8f1k by Molmil](/molmil-images/mine/8f1k) | SigN RNA polymerase early-melted intermediate bound to full duplex DNA fragment dhsU36 (-12T) | Descriptor: | DNA (36-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Mueller, A.U, Chen, J, Darst, S.A. | Deposit date: | 2022-11-05 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | A general mechanism for transcription bubble nucleation in bacteria. Proc.Natl.Acad.Sci.USA, 120, 2023
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8OKL
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![BU of 8okl by Molmil](/molmil-images/mine/8okl) | Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKM
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![BU of 8okm by Molmil](/molmil-images/mine/8okm) | Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKK
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![BU of 8okk by Molmil](/molmil-images/mine/8okk) | Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKN
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![BU of 8okn by Molmil](/molmil-images/mine/8okn) | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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5UWC
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![BU of 5uwc by Molmil](/molmil-images/mine/5uwc) | Cytokine-receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | Authors: | Broughton, S.E, Parker, M.W. | Deposit date: | 2017-02-21 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A dual role for the N-terminal domain of the IL-3 receptor in cell signalling. Nat Commun, 9, 2018
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5UV8
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![BU of 5uv8 by Molmil](/molmil-images/mine/5uv8) | Interleukin-3 Receptor Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin-3, ... | Authors: | Broughton, S.E, Parker, M.W. | Deposit date: | 2017-02-19 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A dual role for the N-terminal domain of the IL-3 receptor in cell signalling. Nat Commun, 9, 2018
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2GIW
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![BU of 2giw by Molmil](/molmil-images/mine/2giw) | SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR, 40 STRUCTURES | Descriptor: | CYTOCHROME C, HEME C | Authors: | Banci, L, Bertini, I, Huber, J.G, Spyroulias, G.A, Turano, P. | Deposit date: | 1998-06-25 | Release date: | 1998-12-09 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Solution structure of reduced horse heart cytochrome c. J.Biol.Inorg.Chem., 4, 1999
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4OYN
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![BU of 4oyn by Molmil](/molmil-images/mine/4oyn) | Fifteen minutes iron loaded human H ferritin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, CHLORIDE ION, ... | Authors: | Pozzi, C, Di Pisa, F, Mangani, S. | Deposit date: | 2014-02-12 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Iron binding to human heavy-chain ferritin. Acta Crystallogr.,Sect.D, 71, 2015
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1FXR
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![BU of 1fxr by Molmil](/molmil-images/mine/1fxr) | |
1ZAP
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![BU of 1zap by Molmil](/molmil-images/mine/1zap) | SECRETED ASPARTIC PROTEASE FROM C. ALBICANS | Descriptor: | N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hydroxy-5-methylhexyl]-L-norleucinamide, SECRETED ASPARTIC PROTEINASE, ZINC ION | Authors: | Abad-Zapatero, C, Muchmore, S.W. | Deposit date: | 1996-01-16 | Release date: | 1997-04-21 | Last modified: | 2012-01-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a secreted aspartic protease from C. albicans complexed with a potent inhibitor: implications for the design of antifungal agents. Protein Sci., 5, 1996
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7L6K
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![BU of 7l6k by Molmil](/molmil-images/mine/7l6k) | ApoL1 N-terminal domain | Descriptor: | Apolipoprotein L1 | Authors: | Holliday, M.J, Ultsch, M, Moran, P, Fairbrother, W.J, Kirchhofer, D. | Deposit date: | 2020-12-23 | Release date: | 2021-08-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
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7LBN
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![BU of 7lbn by Molmil](/molmil-images/mine/7lbn) | |
7LKE
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![BU of 7lke by Molmil](/molmil-images/mine/7lke) | |