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1HBI
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BU of 1hbi by Molmil
CRYSTAL STRUCTURE OF OXYGENATED SCAPHARCA DIMERIC HEMOGLOBIN AT 1.7 ANGSTROMS RESOLUTION
Descriptor: HEMOGLOBIN (OXY), OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E, Condon, P.J.
Deposit date:1994-06-22
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of oxygenated Scapharca dimeric hemoglobin at 1.7-A resolution.
J.Biol.Chem., 269, 1994
8UPP
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BU of 8upp by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704
Descriptor: (2R)-(dimethylphosphoryl)(hydroxy)acetic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
Authors:Lin, X, Lv, Y, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPN
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BU of 8upn by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with NADP+ and HMKB
Descriptor: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UOB
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BU of 8uob by Molmil
SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682
Descriptor: 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E.
Deposit date:2023-10-19
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUG
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BU of 8uug by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUF
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BU of 8uuf by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941
Descriptor: ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ...
Authors:Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-01
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUY
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BU of 8uuy by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-02
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UPQ
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BU of 8upq by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3-dihydroxy-3-isovalerate.
Descriptor: (2R)-2,3-dihydroxy-3-methylbutanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
1HJA
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BU of 1hja by Molmil
LYS 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH ALPHA-CHYMOTRYPSIN
Descriptor: ALPHA-CHYMOTRYPSIN, OVOMUCOID INHIBITOR
Authors:Ding, J.-H, James, M.N.G.
Deposit date:1997-07-09
Release date:1998-01-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Lys18 Variant of Turkey Ovomucoid Inhibitor Third Domain Complexed with Alpha-Chymotrypsin at 2.3 A
To be Published
8UVM
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BU of 8uvm by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313
Descriptor: CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ...
Authors:Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J.
Deposit date:2023-11-03
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
3P2O
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BU of 3p2o by Molmil
Crystal Structure of FolD Bifunctional Protein from Campylobacter jejuni
Descriptor: Bifunctional protein folD, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kim, Y, Zhang, R, Makowska-Grzyska, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-10-03
Release date:2010-10-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:Crystal Structure of FolD Bifunctional Protein from
To be Published
3Q5C
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BU of 3q5c by Molmil
Crystal structure of four-way junction with sticky end
Descriptor: DNA (5'-D(*CP*GP*GP*CP*GP*GP*CP*CP*GP*C)-3')
Authors:Venkadesh, S, Mandal, P.K, Gautham, N.
Deposit date:2010-12-28
Release date:2011-05-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:The sequence d(CGGCGGCCGC) self-assembles into a two dimensional rhombic DNA lattice
Biochem.Biophys.Res.Commun., 407, 2011
3ICD
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BU of 3icd by Molmil
STRUCTURE OF A BACTERIAL ENZYME REGULATED BY PHOSPHORYLATION, ISOCITRATE DEHYDROGENASE
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Hurley, J.H, Thorsness, P.E, Ramalingam, V, Helmers, N.H, Koshlandjunior, D.E, Stroud, R.M.
Deposit date:1989-12-28
Release date:1991-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a bacterial enzyme regulated by phosphorylation, isocitrate dehydrogenase.
Proc.Natl.Acad.Sci.USA, 86, 1989
1NE3
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BU of 1ne3 by Molmil
Solution structure of ribosomal protein S28E from Methanobacterium Thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH0256_1_68; Northeast Structural Genomics Target TT744
Descriptor: 30S ribosomal protein S28E
Authors:Wu, B, Pineda-Lucena, A, Yee, A, Cort, J.R, Ramelot, T.A, Kennedy, M, Edwards, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-12-10
Release date:2003-12-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum.
Protein Sci., 12, 2003
3RBM
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BU of 3rbm by Molmil
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH -703
Descriptor: 3-(2,2-diphosphonoethyl)-1-dodecyl-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Liu, Y.L, No, J.H, Oldfield, E.
Deposit date:2011-03-29
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
3RYW
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BU of 3ryw by Molmil
Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, SULFATE ION, ...
Authors:No, J.H, Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2011-05-11
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GA3
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BU of 4ga3 by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260
Descriptor: 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Liu, Y.-L, Zhang, Y, Oldfield, E.
Deposit date:2012-07-24
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
2M92
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BU of 2m92 by Molmil
Structure of d[AGGGTGGGTGCTGGGGCGCGAAGCATTCGCGAGG] quadruplex-duplex hybrid
Descriptor: 34-MER DNA
Authors:Lim, K.W, Phan, A.T.
Deposit date:2013-05-30
Release date:2013-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA quadruplex-duplex junction formation.
Angew.Chem.Int.Ed.Engl., 52, 2013
2M91
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BU of 2m91 by Molmil
Structure of d[GGGAAGGGCGCGAAGCATTCGCGAGGTAGG] quadruplex-duplex hybrid
Descriptor: 30-MER DNA
Authors:Lim, K.W, Phan, A.T.
Deposit date:2013-05-30
Release date:2013-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA quadruplex-duplex junction formation.
Angew.Chem.Int.Ed.Engl., 52, 2013
2M90
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BU of 2m90 by Molmil
Structure of d[GCGCGAAGCATTCGCGGGGAGGTGGGGAAGGG] quadruplex-duplex hybrid
Descriptor: 32-MER DNA
Authors:Lim, K.W, Phan, A.T.
Deposit date:2013-05-30
Release date:2013-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA quadruplex-duplex junction formation.
Angew.Chem.Int.Ed.Engl., 52, 2013
2M8Y
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BU of 2m8y by Molmil
Structure of d[CGCGAAGCATTCGCG] hairpin
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*GP*CP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Lim, K.W, Phan, A.T.
Deposit date:2013-05-30
Release date:2013-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA quadruplex-duplex junction formation.
Angew.Chem.Int.Ed.Engl., 52, 2013
2M8Z
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BU of 2m8z by Molmil
Structure of d[GGTTGGCGCGAAGCATTCGCGGGTTGG] quadruplex-duplex hybrid
Descriptor: 27-MER DNA
Authors:Lim, K.W, Phan, A.T.
Deposit date:2013-05-30
Release date:2013-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA quadruplex-duplex junction formation.
Angew.Chem.Int.Ed.Engl., 52, 2013
2M93
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BU of 2m93 by Molmil
Structure of d[TTGGGTGGGCGCGAAGCATTCGCGGGGTGGGT] quadruplex-duplex hybrid
Descriptor: 32-MER DNA
Authors:Lim, K.W, Phan, A.T.
Deposit date:2013-05-30
Release date:2013-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA quadruplex-duplex junction formation.
Angew.Chem.Int.Ed.Engl., 52, 2013
2D4Y
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BU of 2d4y by Molmil
Crystal structure of a 49K fragment of HAP1 (FlgK)
Descriptor: Flagellar hook-associated protein 1
Authors:Imada, K, Matsunami, H, Samatey, A.F, Nagashima, S, Namba, K.
Deposit date:2005-10-25
Release date:2006-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the bacterial flagellar hook-filament junction
To be Published
3ALP
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BU of 3alp by Molmil
Cell adhesion protein
Descriptor: CITRIC ACID, HEXANE-1,6-DIOL, Poliovirus receptor-related protein 1
Authors:Narita, H, Nakagawa, A, Suzuki, M.
Deposit date:2010-08-05
Release date:2011-02-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Crystal Structure of the cis-Dimer of Nectin-1: implications for the architecture of cell-cell junctions
J.Biol.Chem., 286, 2011

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