4UMY
 
 | | IDH1 R132H in complex with cpd 1 | | Descriptor: | GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | McLean, L, Zhang, Y, Mathieu, M. | | Deposit date: | 2014-05-22 | | Release date: | 2014-11-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
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9EZ2
 | | Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 | | Descriptor: | 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | | Authors: | Rochel, N. | | Deposit date: | 2024-04-10 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study.
Biomolecules, 14, 2024
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4UEO
 | | Open state of galactitol-1-phosphate 5-dehydrogenase from E. coli, with zinc in the catalytic site. | | Descriptor: | GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, ZINC ION | | Authors: | Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M. | | Deposit date: | 2014-12-18 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli
Acta Crystallogr.,Sect.D, 71, 2015
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8JM2
 | | Endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant L331A from Prunus communis complexed with 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde (Form B) | | Descriptor: | (R)-mandelonitrile lyase, 1,2-ETHANEDIOL, 2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde, ... | | Authors: | Zheng, Y.-C, Li, F.-L, Yu, H.-L, Xu, J.-H. | | Deposit date: | 2023-06-04 | | Release date: | 2024-06-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant L331A from Prunus communis complexed with 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde (Form B)
To Be Published
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4WTR
 | | Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose | | Descriptor: | beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | Authors: | Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z. | | Deposit date: | 2014-10-30 | | Release date: | 2015-08-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
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4WTS
 | | Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaritriose | | Descriptor: | beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | | Authors: | Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z. | | Deposit date: | 2014-10-30 | | Release date: | 2015-08-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
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7O1X
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1FAS
 | | 1.9 ANGSTROM RESOLUTION STRUCTURE OF FASCICULIN 1, AN ANTI-ACETYLCHOLINESTERASE TOXIN FROM GREEN MAMBA SNAKE VENOM | | Descriptor: | FASCICULIN 1 | | Authors: | Le Du, M.H, Marchot, P, Bougis, P.E, Fontecilla-Camps, J.C. | | Deposit date: | 1992-08-07 | | Release date: | 1993-10-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.9-A resolution structure of fasciculin 1, an anti-acetylcholinesterase toxin from green mamba snake venom.
J.Biol.Chem., 267, 1992
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7O1Z
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1EQU
 | | TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EQUILIN COMPLEXED WITH NADP+ | | Descriptor: | EQUILIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (ESTRADIOL 17 BETA-DEHYDROGENASE 1) | | Authors: | Sawicki, M.W, Erman, M, Puranen, T, Vihko, P, Ghosh, D. | | Deposit date: | 1998-12-02 | | Release date: | 1999-12-02 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the ternary complex of human 17beta-hydroxysteroid dehydrogenase type 1 with 3-hydroxyestra-1,3,5,7-tetraen-17-one (equilin) and NADP+.
Proc.Natl.Acad.Sci.USA, 96, 1999
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8OFQ
 | | Human adenovirus type 25 fiber-knob protein | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fiber, ... | | Authors: | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | | Deposit date: | 2023-03-16 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
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8OFU
 | | Human adenovirus type 53 fiber-knob protein | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fiber protein, ... | | Authors: | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | | Deposit date: | 2023-03-16 | | Release date: | 2023-09-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
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7QP2
 | | 1-deazaguanosine modified-RNA Sarcin Ricin Loop | | Descriptor: | GLYCEROL, RNA (27-MER) | | Authors: | Ennifar, E, Micura, R, Bereiter, R, Renard, E, Kreutz, C. | | Deposit date: | 2021-12-30 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | 1-Deazaguanosine-Modified RNA: The Missing Piece for Functional RNA Atomic Mutagenesis.
J.Am.Chem.Soc., 144, 2022
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8OJS
 | | Crystal structure of the human IgD Fab - structure Fab1 | | Descriptor: | 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ... | | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | | Deposit date: | 2023-03-24 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
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8OJU
 | | Crystal structure of the human IgD Fab - structure Fab3 | | Descriptor: | 1,2-ETHANEDIOL, Human IgD Fab heavy chain, Human IgD Fab light chain, ... | | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | | Deposit date: | 2023-03-24 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
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8OJV
 | | Crystal structure of the human IgD Fab - structure Fab4 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Davies, A.M, Beavil, R.L, McDonnell, J.M. | | Deposit date: | 2023-03-24 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the human IgD Fab reveal insights into C H 1 domain diversity.
Mol.Immunol., 159, 2023
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8OFV
 | | Human adenovirus type 53 fiber-knob protein complexed with sialic acid | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | | Deposit date: | 2023-03-16 | | Release date: | 2023-09-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
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8U6B
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acrylamide (JLJ731), a non-nucleoside inhibitor | | Descriptor: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6P
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N,N-dimethylpropanamide (JLJ754), a non-nucleoside inhibitor | | Descriptor: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6A
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (JLJ729), a non-nucleoside inhibitor | | Descriptor: | N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6M
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((6-chloro-2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ751), a non-nucleoside inhibitor | | Descriptor: | N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6D
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy)ethyl)-N-methylacrylamide (JLJ736), a non-nucleoside inhibitor | | Descriptor: | N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6S
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-morpholino-3-oxopropoxy)phenoxy)indolizine-2-carbonitrile (JLJ757), a non-nucleoside inhibitor | | Descriptor: | (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6C
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acetamide (JLJ732), a non-nucleoside inhibitor | | Descriptor: | 2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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8U6R
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N-(2,2-difluoroethyl)propanamide (JLJ756), a non-nucleoside inhibitor | | Descriptor: | 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-09-13 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
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