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6W79
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BU of 6w79 by Molmil
Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Main protease, ...
Authors:Mesecar, A.D, StJohn, S, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-03-18
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
1ERJ
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BU of 1erj by Molmil
CRYSTAL STRUCTURE OF THE C-TERMINAL WD40 DOMAIN OF TUP1
Descriptor: TRANSCRIPTIONAL REPRESSOR TUP1
Authors:Sprague, E.R, Redd, M.J, Johnson, A.D, Wolberger, C.
Deposit date:2000-04-06
Release date:2000-07-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the C-terminal domain of Tup1, a corepressor of transcription in yeast.
EMBO J., 19, 2000
1HJW
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BU of 1hjw by Molmil
Crystal structure of hcgp-39 in complex with chitin octamer
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F.
Deposit date:2003-02-28
Release date:2003-03-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes
J.Biol.Chem., 278, 2003
1HYS
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BU of 1hys by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH A POLYPURINE TRACT RNA:DNA
Descriptor: 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*TP*AP*AP*AP*AP*AP*GP*TP*GP*GP*CP*TP*G)-3', 5'-R(*UP*CP*AP*GP*CP*CP*AP*CP*UP*UP*UP*UP*UP*AP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', FAB-28 MONOCLONAL ANTIBODY FRAGMENT HEAVY CHAIN, ...
Authors:Sarafianos, S.G, Das, K, Tantillo, C, Clark Jr, A.D, Ding, J, Whitcomb, J, Boyer, P.L, Hughes, S.H, Arnold, E.
Deposit date:2001-01-22
Release date:2001-03-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA.
EMBO J., 20, 2001
1IFT
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BU of 1ift by Molmil
RICIN A-CHAIN (RECOMBINANT)
Descriptor: RICIN
Authors:Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A.
Deposit date:1996-07-05
Release date:1998-01-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structure of recombinant ricin A-chain at 1.8 A resolution.
J.Mol.Biol., 244, 1994
1J7N
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BU of 1j7n by Molmil
Anthrax Toxin Lethal factor
Descriptor: Lethal Factor precursor, SULFATE ION, ZINC ION
Authors:Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C.
Deposit date:2001-05-17
Release date:2001-11-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the anthrax lethal factor.
Nature, 414, 2001
1IFS
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BU of 1ifs by Molmil
RICIN A-CHAIN (RECOMBINANT) COMPLEX WITH ADENOSINE (ADENOSINE BECOMES ADENINE IN THE COMPLEX)
Descriptor: ADENINE, RICIN
Authors:Weston, S.A, Tucker, A.D, Thatcher, D.R, Derbyshire, D.J, Pauptit, R.A.
Deposit date:1996-07-05
Release date:1998-01-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of recombinant ricin A-chain at 1.8 A resolution.
J.Mol.Biol., 244, 1994
1IKO
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BU of 1iko by Molmil
CRYSTAL STRUCTURE OF THE MURINE EPHRIN-B2 ECTODOMAIN
Descriptor: EPHRIN-B2, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Toth, J, Cutforth, T, Gelinas, A.D, Bethoney, K.A, Bard, J, Harrison, C.J.
Deposit date:2001-05-03
Release date:2002-05-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of an ephrin ectodomain.
Dev.Cell, 1, 2001
8EFY
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BU of 8efy by Molmil
Structure of double homo-hexameric AAA+ ATPase RuvB motors
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvB, MAGNESIUM ION, ...
Authors:Shen, Z.F, Rish, A.D, Fu, T.M.
Deposit date:2022-09-10
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure of double homo-hexameric AAA+ ATPase RuvB motor binding with DNA substrate
To Be Published
8EFV
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BU of 8efv by Molmil
Structure of single homo-hexameric Holliday junction ATP-dependent DNA helicase RuvB motor
Descriptor: 49-mer DNA, 51-mer DNA, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Shen, Z.F, Rish, A.D, Fu, T.M.
Deposit date:2022-09-09
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure of single homo-hexameric Holliday junction ATP-dependent DNA helicase RuvB motor
To Be Published
3EKZ
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BU of 3ekz by Molmil
Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
Deposit date:2008-09-19
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
1P45
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BU of 1p45 by Molmil
Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B.N, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-04-21
Release date:2003-09-16
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
J.Biol.Chem., 278, 2003
3EJ3
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BU of 3ej3 by Molmil
Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
Descriptor: ACETATE ION, Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, ...
Authors:Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
Deposit date:2008-09-17
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3EJ9
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BU of 3ej9 by Molmil
Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
Descriptor: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase
Authors:Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
Deposit date:2008-09-17
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3EJ7
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BU of 3ej7 by Molmil
Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity
Descriptor: Alpha-subunit of trans-3-chloroacrylic acid dehalogenase, Beta-subunit of trans-3-chloroacrylic acid dehalogenase, SULFATE ION
Authors:Pegan, S, Serrano, H, Whitman, C.P, Mesecar, A.D.
Deposit date:2008-09-17
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic analysis of trans-3-chloroacrylic acid dehalogenase activity.
Acta Crystallogr.,Sect.D, 64, 2008
3EKL
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BU of 3ekl by Molmil
Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
Deposit date:2008-09-19
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
3ELF
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BU of 3elf by Molmil
Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase, SODIUM ION, ...
Authors:Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D.
Deposit date:2008-09-22
Release date:2009-02-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis
J.Mol.Biol., 386, 2009
8FPE
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BU of 8fpe by Molmil
Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP
Descriptor: N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
Authors:Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T.
Deposit date:2023-01-04
Release date:2023-03-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FZ0
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BU of 8fz0 by Molmil
Cryo-EM Structure of empty AAV2 capsid
Descriptor: Capsid protein VP1
Authors:Bennett, A.D, McKenna, R.
Deposit date:2023-01-27
Release date:2023-05-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cryo-EM Structure of genome containing AAV2
to be published
8FYW
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BU of 8fyw by Molmil
Cryo-EM Structure of genome containing AAV2
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid protein VP1
Authors:Bennett, A.D, Mckenna, R.
Deposit date:2023-01-26
Release date:2023-06-07
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM Structure of genome containing AAV2
To Be Published
8FZN
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BU of 8fzn by Molmil
Cryo-EM Structure of AAV2-R404A Variant
Descriptor: Capsid protein VP1
Authors:Bennett, A.D, McKenna, R.
Deposit date:2023-01-29
Release date:2023-06-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Cryo-EM Structure of genome containing AAV2
to be published
8FJI
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BU of 8fji by Molmil
Crystal structure of RalA in a covalent complex with SOF-367
Descriptor: 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.
Deposit date:2022-12-19
Release date:2023-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
8FJH
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BU of 8fjh by Molmil
Crystal structure of RalA in a covalent complex with SOF-531
Descriptor: 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.
Deposit date:2022-12-19
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation.
Chemmedchem, 18, 2023
1QCW
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BU of 1qcw by Molmil
Flavocytochrome B2, ARG289LYS mutant
Descriptor: FLAVOCYTOCHROME B2, N-SULFO-FLAVIN MONONUCLEOTIDE
Authors:Mowat, C.G, Durley, R.C.E, Pike, A.D, Barton, J.D, Chen, Z.-W, Mathews, F.S, Lederer, F, Reid, G.A, Chapman, S.K.
Deposit date:1999-05-07
Release date:1999-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Kinetic and crystallographic studies on the active site Arg289Lys mutant of flavocytochrome b2 (yeast L-lactate dehydrogenase)
Biochemistry, 39, 2000
8FFQ
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BU of 8ffq by Molmil
Wildtype rabbit TRPV5 into nanodiscs in the presence of PI(4,5)P2 and ruthenium red
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5, ...
Authors:De Jesus-Perez, J.J, Fluck, E.C, Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, Moiseenkova-Bell, V.Y.
Deposit date:2022-12-09
Release date:2024-02-07
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Molecular details of ruthenium red pore block in TRPV channels.
Embo Rep., 25, 2024

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