1E2L
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![BU of 1e2l by Molmil](/molmil-images/mine/1e2l) | Kinetics and crystal structure of the wild-type and the engineered Y101F mutant of Herpes simplex virus type 1 thymidine kinase interacting with (North)-methanocarba-thymidine | Descriptor: | 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE, SULFATE ION, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2000-08-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Kinetics and Crystal Structure of the Wild-Type and the Engineered Y101F Mutant of Herpes Simplex Virus Type 1 Thymidine Kinase Interacting with (North)-Methanocarba-Thymidine Biochemistry, 39, 2000
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7DRS
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![BU of 7drs by Molmil](/molmil-images/mine/7drs) | Structure of SspE_40224 | Descriptor: | SspE protein | Authors: | Haiyan, G, Jinchuan, Z, Chen, S, Wang, L, Wu, G. | Deposit date: | 2020-12-29 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Nicking mechanism underlying the DNA phosphorothioate-sensing antiphage defense by SspE. Nat Commun, 13, 2022
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7DRR
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![BU of 7drr by Molmil](/molmil-images/mine/7drr) | Structure of SspE-R100A protein | Descriptor: | SspE protein | Authors: | Haiyan, G, Jinchuan, Z, Chen, S, Wang, L, Wu, G. | Deposit date: | 2020-12-29 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | Nicking mechanism underlying the DNA phosphorothioate-sensing antiphage defense by SspE. Nat Commun, 13, 2022
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8WMK
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![BU of 8wmk by Molmil](/molmil-images/mine/8wmk) | Structure of ConA/Man2 | Descriptor: | 4-[3-(4-carboxyphenyl)phenyl]benzoic acid, CALCIUM ION, Concanavalin-A, ... | Authors: | Li, L, Chen, G. | Deposit date: | 2023-10-03 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Rational design of inducing ligands with three-dimensional supramolecular interactions to build protein crystalline frameworks. To Be Published
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1DQ6
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![BU of 1dq6 by Molmil](/molmil-images/mine/1dq6) | Manganese;Manganese concanavalin A at pH 7.0 | Descriptor: | Concanavalin-A, MANGANESE (II) ION | Authors: | Bouckaert, J, Dewallef, Y, Poortmans, F, Wyns, L, Loris, R. | Deposit date: | 1999-12-30 | Release date: | 2000-01-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural features of concanavalin A governing non-proline peptide isomerization J.Biol.Chem., 275, 2000
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7X9P
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![BU of 7x9p by Molmil](/molmil-images/mine/7x9p) | Crystal structure of human STING complexed with compound BSP17 | Descriptor: | 4-[6-methoxy-5-[3-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzoselenophen-5-yl]oxy]propoxy]-1-benzoselenophen-2-yl]-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein | Authors: | Pan, L, Guan, X, Feng, X, Li, Z, Bian, J. | Deposit date: | 2022-03-15 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Selenium-containing STING agonists as orally available anti tumor agents To be published
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8WMG
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![BU of 8wmg by Molmil](/molmil-images/mine/8wmg) | Structure of ConA/Man3 | Descriptor: | 4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid, CALCIUM ION, Concanavalin-A, ... | Authors: | Li, L, Chen, G. | Deposit date: | 2023-10-03 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Rational design of inducing ligands with three-dimensional supramolecular interactions to build protein crystalline frameworks. To Be Published
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8WKJ
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![BU of 8wkj by Molmil](/molmil-images/mine/8wkj) | |
8WOU
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![BU of 8wou by Molmil](/molmil-images/mine/8wou) | |
7DTW
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![BU of 7dtw by Molmil](/molmil-images/mine/7dtw) | Human Calcium-Sensing Receptor in the inactive close-close conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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1E2M
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![BU of 1e2m by Molmil](/molmil-images/mine/1e2m) | HPT + HMTT | Descriptor: | 6-HYDROXYPROPYLTHYMINE, SULFATE ION, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2001-03-31 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Effect of Substrate Binding on the Conformation and Structural Stability of Herpes Simplex Virus Type 1 Thymidine Kinase Protein Sci., 10, 2001
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7DTU
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![BU of 7dtu by Molmil](/molmil-images/mine/7dtu) | Human Calcium-Sensing Receptor bound with L-Trp | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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7DTT
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![BU of 7dtt by Molmil](/molmil-images/mine/7dtt) | Human Calcium-Sensing Receptor bound with calcium ions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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7DTV
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![BU of 7dtv by Molmil](/molmil-images/mine/7dtv) | Human Calcium-Sensing Receptor bound with L-Trp and calcium ions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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1E31
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![BU of 1e31 by Molmil](/molmil-images/mine/1e31) | SURVIVIN DIMER H. SAPIENS | Descriptor: | APOPTOSIS INHIBITOR SURVIVIN, COBALT (II) ION, ZINC ION | Authors: | Chantalat, L, Skoufias, D.A, Margolis, R.L, Dideberg, O. | Deposit date: | 2000-06-04 | Release date: | 2001-01-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal Structure of Human Survivin Reveals a Bow Tie-Shaped Dimer with Two Unusual Alpha-Helical Extensions Mol.Cell, 6, 2000
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7E35
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![BU of 7e35 by Molmil](/molmil-images/mine/7e35) | Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43 | Descriptor: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION | Authors: | Liu, J, Wang, Y, Xu, X, Pan, L. | Deposit date: | 2021-02-08 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2. Cell Chem Biol, 28, 2021
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1DOU
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![BU of 1dou by Molmil](/molmil-images/mine/1dou) | MONOVALENT CATIONS SEQUESTER WITHIN THE A-TRACT MINOR GROOVE OF [D(CGCGAATTCGCG)]2 | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Woods, K.K, McFail-Isom, L, Sines, C.C, Howerton, S.B, Stephens, R.K, Williams, L.D. | Deposit date: | 1999-12-21 | Release date: | 1999-12-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Monovalent Cations Sequester within the A-Tract Minor Groove of [d(CGCGAATTCGCG)]2 J.Am.Chem.Soc., 122, 2000
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7E4T
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![BU of 7e4t by Molmil](/molmil-images/mine/7e4t) | Human TRPC5 apo state structure at 3 angstrom | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, ... | Authors: | Chen, L, Song, K, Wei, M, Guo, W. | Deposit date: | 2021-02-15 | Release date: | 2021-03-31 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for human TRPC5 channel inhibition by two distinct inhibitors. Elife, 10, 2021
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1DOK
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![BU of 1dok by Molmil](/molmil-images/mine/1dok) | MONOCYTE CHEMOATTRACTANT PROTEIN 1, P-FORM | Descriptor: | MONOCYTE CHEMOATTRACTANT PROTEIN 1, SULFATE ION | Authors: | Lubkowski, J, Bujacz, G, Boque, L, Wlodawer, A, Domaille, P.J, Handel, T.M. | Deposit date: | 1996-11-27 | Release date: | 1997-03-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The structure of MCP-1 in two crystal forms provides a rare example of variable quaternary interactions. Nat.Struct.Biol., 4, 1997
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2JJJ
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![BU of 2jjj by Molmil](/molmil-images/mine/2jjj) | Endothiapepsin in complex with a gem-diol inhibitor. | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | Deposit date: | 2008-04-09 | Release date: | 2008-05-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction J.Am.Chem.Soc., 130, 2008
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2JJI
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![BU of 2jji by Molmil](/molmil-images/mine/2jji) | Endothiapepsin in complex with a gem-diol inhibitor. | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | Deposit date: | 2008-04-09 | Release date: | 2008-05-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction J.Am.Chem.Soc., 130, 2008
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1DQ2
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![BU of 1dq2 by Molmil](/molmil-images/mine/1dq2) | Unlocked metal-free concanavalin A | Descriptor: | ACETIC ACID, Concanavalin-Br | Authors: | Bouckaert, J, Dewallef, Y, Poortmans, F, Wyns, L, Loris, R. | Deposit date: | 1999-12-29 | Release date: | 2000-01-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The structural features of concanavalin A governing non-proline peptide isomerization J.Biol.Chem., 275, 2000
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8WB2
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![BU of 8wb2 by Molmil](/molmil-images/mine/8wb2) | Heme-bound Arabidopsis thaliana temperature-induced lipocalin | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Temperature-induced lipocalin-1 | Authors: | Dong, C, Liu, L. | Deposit date: | 2023-09-08 | Release date: | 2023-12-27 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and functional studies of a plant temperature-induced lipocalin. Biochim Biophys Acta Gen Subj, 1868, 2023
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1DQL
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![BU of 1dql by Molmil](/molmil-images/mine/1dql) | CRYSTAL STRUCTURE OF AN UNLIGANDED (NATIVE) FV FROM A HUMAN IGM ANTI-PEPTIDE ANTIBODY | Descriptor: | IGM MEZ IMMUNOGLOBULIN | Authors: | Ramsland, P.A, Shan, L, Moomaw, C.R, Slaughter, C.A, Guddat, L.W, Edmundson, A.B. | Deposit date: | 2000-01-04 | Release date: | 2000-10-04 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | An unusual human IgM antibody with a protruding HCDR3 and high avidity for its peptide ligands. Mol.Immunol., 37, 2000
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3OJJ
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![BU of 3ojj by Molmil](/molmil-images/mine/3ojj) | Structure of Co-substituted Homoprotocatechuate 2,3-Dioxygenase from B.fuscum at 1.72 Ang resolution | Descriptor: | CALCIUM ION, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Fielding, A.J, Kovaleva, E.G, Farquhar, E.R, Lipscomb, J.D, Que Jr, L. | Deposit date: | 2010-08-23 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A hyperactive cobalt-substituted extradiol-cleaving catechol dioxygenase. J.Biol.Inorg.Chem., 16, 2011
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