2ZA5
| Crystal Structure of human tryptase with potent non-peptide inhibitor | Descriptor: | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2 | Authors: | Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C. | Deposit date: | 2007-10-02 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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5TI9
| Crystal structure of human TDO in complex with Trp and dioxygen, Northeast Structural Genomics Consortium Target HR6161 | Descriptor: | N'-Formylkynurenine, OXYGEN MOLECULE, PHOSPHATE ION, ... | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | Deposit date: | 2016-10-01 | Release date: | 2016-10-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase. Sci Rep, 6, 2016
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7XYD
| Crystal structure of TMPRSS2 in complex with Nafamostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-01 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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7Y0F
| Crystal structure of TMPRSS2 in complex with UK-371804 | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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7Y0E
| Crystal structure of TMPRSS2 in complex with Camostat | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | Deposit date: | 2022-06-04 | Release date: | 2023-12-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
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5TIA
| Crystal structure of human TDO in complex with Trp, Northeast Structural Genomics Consortium Target HR6161 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase | Authors: | Forouhar, F, Lewis-Ballester, A, Lew, S, Karkashon, S, Seetharaman, J, Yeh, S.R, Tong, L. | Deposit date: | 2016-10-01 | Release date: | 2016-10-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.441 Å) | Cite: | Molecular basis for catalysis and substrate-mediated cellular stabilization of human tryptophan 2,3-dioxygenase. Sci Rep, 6, 2016
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2ZEC
| Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | Descriptor: | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2 | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | Deposit date: | 2007-12-08 | Release date: | 2008-12-09 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.059 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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6LHC
| The cryo-EM structure of coxsackievirus A16 empty particle | Descriptor: | VP1, VP2, VP3 | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | Deposit date: | 2019-12-07 | Release date: | 2020-02-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16. Cell Host Microbe, 27, 2020
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6LHL
| The cryo-EM structure of coxsackievirus A16 A-particle in complex with Fab 18A7 | Descriptor: | VP1 protein, VP2 protein, VP3 protein | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | Deposit date: | 2019-12-09 | Release date: | 2020-02-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16. Cell Host Microbe, 27, 2020
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6LHB
| The cryo-EM structure of coxsackievirus A16 A-particle | Descriptor: | VP1, VP2, VP3 | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | Deposit date: | 2019-12-07 | Release date: | 2020-02-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16. Cell Host Microbe, 27, 2020
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6LHP
| The cryo-EM structure of coxsackievirus A16 mature virion in complex with Fab 14B10 | Descriptor: | SPHINGOSINE, VP1 protein, VP2 protein, ... | Authors: | He, M.Z, Xu, L.F, Zheng, Q.B, Zhu, R, Yin, Z.C, Cheng, T, Li, S.W. | Deposit date: | 2019-12-09 | Release date: | 2020-02-05 | Last modified: | 2020-02-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Identification of Antibodies with Non-overlapping Neutralization Sites that Target Coxsackievirus A16. Cell Host Microbe, 27, 2020
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3CLL
| Crystal structure of the Spinach Aquaporin SoPIP2;1 S115E mutant | Descriptor: | Aquaporin | Authors: | Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Trnroth-Horsefield, S. | Deposit date: | 2008-03-19 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating. J.Mol.Biol., 387, 2009
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3CN6
| Crystal structure of the Spinach Aquaporin SoPIP2;1 S274E mutant | Descriptor: | Aquaporin, CADMIUM ION | Authors: | Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Tornroth-Horsefield, S. | Deposit date: | 2008-03-25 | Release date: | 2009-02-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating. J.Mol.Biol., 387, 2009
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3CN5
| Crystal structure of the Spinach Aquaporin SoPIP2;1 S115E, S274E mutant | Descriptor: | Aquaporin | Authors: | Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Tornroth-Horsefield, S. | Deposit date: | 2008-03-25 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating. J.Mol.Biol., 387, 2009
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4MJR
| E. coli sliding clamp in complex with (S)-Carprofen | Descriptor: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs. Chem.Biol., 21, 2014
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4MJP
| E. coli sliding clamp in complex with (R)-Vedaprofen | Descriptor: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs. Chem.Biol., 21, 2014
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7WK5
| Cryo-EM structure of Omicron S-ACE2, C2 state | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Han, W.Y, Wang, Y.F. | Deposit date: | 2022-01-08 | Release date: | 2022-02-02 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Molecular basis of SARS-CoV-2 Omicron variant receptor engagement and antibody evasion and neutralization Biorxiv, 2022
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7WK4
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7WK6
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3QUP
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3R0W
| Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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4N99
| E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid | Descriptor: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4N98
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4N95
| E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione | Descriptor: | 5-chloro-1H-indole-2,3-dione, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-10-19 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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3NCO
| Crystal structure of FnCel5A from F. nodosum Rt17-B1 | Descriptor: | Endoglucanase FnCel5A, PHOSPHATE ION, peptide (ALA)(ASN)(GLU), ... | Authors: | Zheng, B.S, Yang, W, Wang, Y, Lou, Z.Y, Rao, Z.H, Feng, Y. | Deposit date: | 2010-06-05 | Release date: | 2011-06-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of FnCel5A from F. nodosum Rt17-B1 To be Published
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