6OXU
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![BU of 6oxu by Molmil](/molmil-images/mine/6oxu) | HIV-1 Protease NL4-3 WT in Complex with LR-99 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6UBE
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![BU of 6ube by Molmil](/molmil-images/mine/6ube) | Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL | Descriptor: | AZIDE ION, GLYCEROL, Peptide LFRAL, ... | Authors: | Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Engineering subtilisin proteases that specifically degrade active RAS. Commun Biol, 4, 2021
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6OY2
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![BU of 6oy2 by Molmil](/molmil-images/mine/6oy2) | HIV-1 Protease NL4-3 WT in Complex with LR2-25 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OXZ
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![BU of 6oxz by Molmil](/molmil-images/mine/6oxz) | HIV-1 Protease NL4-3 WT in Complex with LR2-20 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OYE
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6UC8
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![BU of 6uc8 by Molmil](/molmil-images/mine/6uc8) | Guanine riboswitch bound to 8-aminoguanine | Descriptor: | 8-AMINOGUANINE, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Matyjasik, M.M, Hall, S.D, Batey, R.T. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch. Molecules, 25, 2020
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4ZU6
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![BU of 4zu6 by Molmil](/molmil-images/mine/4zu6) | Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with pre-reactive o-acetyl serine, alpha-aminoacrylate reaction intermediate and Peptide inhibitor at the resolution of 2.25A | Descriptor: | C-terminal peptide from Serine acetyltransferase, Cysteine synthase, O-ACETYLSERINE, ... | Authors: | Ekka, M.K, Singh, A.K, Kaushik, A, Kumaran, S. | Deposit date: | 2015-05-15 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with pre-reactive o-acetyl serine and peptide inhibitor To Be Published
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4ZU1
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![BU of 4zu1 by Molmil](/molmil-images/mine/4zu1) | Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with O-acetyl serine and peptide inhibitor | Descriptor: | C-terminal peptide from Serine acetyltransferase, Cysteine synthase, GLYCEROL, ... | Authors: | Ekka, M.K, Singh, A.K, Kaushik, A, Kumaran, S. | Deposit date: | 2015-05-15 | Release date: | 2015-06-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with O-acetyl serine and peptide inhibitor To Be Published
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6OFL
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![BU of 6ofl by Molmil](/molmil-images/mine/6ofl) | Crystal structure of green fluorescent protein (GFP); S65T, Y66(3-ClY); ih circular permutant (50-51) | Descriptor: | Green fluorescent protein (GFP); S65T, Y66(3-ClY); ih circular permutant (50-51) | Authors: | Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G. | Deposit date: | 2019-03-31 | Release date: | 2019-07-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins. J.Am.Chem.Soc., 141, 2019
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6OXW
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![BU of 6oxw by Molmil](/molmil-images/mine/6oxw) | HIV-1 Protease NL4-3 WT in Complex with LR-100 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3 | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6TYX
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6OZH
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![BU of 6ozh by Molmil](/molmil-images/mine/6ozh) | |
6UC9
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![BU of 6uc9 by Molmil](/molmil-images/mine/6uc9) | Guanine riboswitch bound to O6-cyclohexylmethyl guanine | Descriptor: | 6-O-CYCLOHEXYLMETHYL GUANINE, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Matyjasik, M.M, Batey, R.T. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch. Molecules, 25, 2020
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6UCD
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6TYU
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6P2M
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![BU of 6p2m by Molmil](/molmil-images/mine/6p2m) | Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme in complex with LLG xyloglucan | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, GLYCEROL, ... | Authors: | Stogios, P.J, Skarina, T, Arnal, G. | Deposit date: | 2019-05-21 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
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6U7D
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![BU of 6u7d by Molmil](/molmil-images/mine/6u7d) | |
6OZI
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![BU of 6ozi by Molmil](/molmil-images/mine/6ozi) | |
6U50
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![BU of 6u50 by Molmil](/molmil-images/mine/6u50) | Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB) | Authors: | Taylor, A.B, Sherwood, L.J, Hart, P.J, Hayhurst, A. | Deposit date: | 2019-08-26 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Paratope Duality and Gullying are Among the Atypical Recognition Mechanisms Used by a Trio of Nanobodies to Differentiate Ebolavirus Nucleoproteins. J.Mol.Biol., 431, 2019
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6U58
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![BU of 6u58 by Molmil](/molmil-images/mine/6u58) | Toho1 Beta Lactamase Glu166Gln Mutant | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Langan, P.S, Sullivan, B, Weiss, K.L. | Deposit date: | 2019-08-27 | Release date: | 2020-02-19 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Probing the Role of the Conserved Residue Glu166 in a Class A Beta-Lactamase Using Neutron and X-ray Protein Crystallography Acta Crystallogr.,Sect.D, 76, 2020
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6PLX
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![BU of 6plx by Molmil](/molmil-images/mine/6plx) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with GABA in SMA, desensitized state | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-01-06 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6P2H
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![BU of 6p2h by Molmil](/molmil-images/mine/6p2h) | |
6PGT
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![BU of 6pgt by Molmil](/molmil-images/mine/6pgt) | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, vanadate bound state | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | Deposit date: | 2019-06-24 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
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6PH1
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![BU of 6ph1 by Molmil](/molmil-images/mine/6ph1) | T4 lysozyme pseudo-wild type soaked in TEMPOL | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ... | Authors: | Cuneo, M.J, Myles, D.A, Li, L. | Deposit date: | 2019-06-25 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.632 Å) | Cite: | Making hydrogens stand out: Enhanced neutron diffraction from biological crystals using dynamic nuclear polarization To be published
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6PHA
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![BU of 6pha by Molmil](/molmil-images/mine/6pha) | Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, vanadate bound state | Descriptor: | ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ... | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | Deposit date: | 2019-06-25 | Release date: | 2019-08-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
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