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3G86
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Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor
Descriptor: N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-02-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones
Bioorg.Med.Chem.Lett., 19, 2009
3GGA
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HIV Protease inhibitors with pseudo-symmetric cores
Descriptor: V-1 protease, methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-02-27
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
2F46
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Crystal structure of a putative phosphatase (nma1982) from neisseria meningitidis z2491 at 1.41 A resolution
Descriptor: CHLORIDE ION, UNKNOWN LIGAND, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-11-22
Release date:2006-02-07
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of NMA1982 from Neisseria meningitidis at 1.5 A resolution provides a structural scaffold for nonclassical, eukaryotic-like phosphatases.
Proteins, 69, 2007
3EIZ
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BU of 3eiz by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei, H32 crystal form
Descriptor: Inorganic pyrophosphatase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-17
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
2FAV
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BU of 2fav by Molmil
Crystal structure of SARS macro domain in complex with ADP-ribose at 1.8 A resolution
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab (pp1ab) (ORF1AB)
Authors:Egloff, M.P, Malet, H, Marseilles Structural Genomics Program @ AFMB (MSGP)
Deposit date:2005-12-08
Release date:2006-10-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional basis for ADP-ribose and poly(ADP-ribose) binding by viral macro domains.
J.Virol., 80, 2006
2FEA
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BU of 2fea by Molmil
Crystal structure of MtnX phosphatase from Bacillus Subtilis at 2.00 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate phosphatase, MAGNESIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-12-15
Release date:2005-12-27
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of MtnX phosphatase from Bacillus subtilis at 2.0 A resolution provides a structural basis for bipartite phosphomonoester hydrolysis of 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate.
Proteins, 69, 2007
2DVN
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BU of 2dvn by Molmil
Structure of PH1917 protein with the complex of IMP from Pyrococcus horikoshii
Descriptor: GLYCEROL, Hypothetical protein PH1917, INOSINIC ACID, ...
Authors:Lokanath, N.K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-31
Release date:2007-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of dimeric nonstandard nucleotide triphosphate pyrophosphatase from Pyrococcus horikoshii OT3: functional significance of interprotomer conformational changes
J.Mol.Biol., 375, 2008
1QHF
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BU of 1qhf by Molmil
YEAST PHOSPHOGLYCERATE MUTASE-3PG COMPLEX STRUCTURE TO 1.7 A
Descriptor: 3-PHOSPHOGLYCERIC ACID, PROTEIN (PHOSPHOGLYCERATE MUTASE), SULFATE ION
Authors:Crowhurst, G, Littlechild, J, Watson, H.C.
Deposit date:1999-05-13
Release date:1999-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a phosphoglycerate mutase:3-phosphoglyceric acid complex at 1.7 A.
Acta Crystallogr.,Sect.D, 55, 1999
2F0C
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BU of 2f0c by Molmil
Structure of the Receptor Binding Protein (ORF49, bbp) from lactophage tp901-1
Descriptor: GLYCEROL, Phage tp901-1 ORF49 (BPP)
Authors:Cambillau, C, Spinelli, S.
Deposit date:2005-11-13
Release date:2006-03-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Modular structure of the receptor binding proteins of Lactococcus lactis phages. The RBP structure of the temperate phage TP901-1.
J.Biol.Chem., 281, 2006
1QTY
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BU of 1qty by Molmil
VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR
Descriptor: FMS-LIKE TYROSINE KINASE 1, VASCULAR ENDOTHELIAL GROWTH FACTOR
Authors:Wiesmann, C, de Vos, A.M.
Deposit date:1999-06-29
Release date:2000-01-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
3EZO
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BU of 3ezo by Molmil
Crystal structure of acyl-carrier-protein s-malonyltransferase from burkholderia pseudomallei 1710b
Descriptor: Malonyl CoA-acyl carrier protein transacylase
Authors:SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-23
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1QMY
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BU of 1qmy by Molmil
FMDV LEADER PROTEASE (LBSHORT-C51A-C133S)
Descriptor: 1,2-ETHANEDIOL, PROTEASE
Authors:Guarne, A, Tormo, J, Glaser, W, Skern, T, Fita, I.
Deposit date:1999-10-08
Release date:2000-10-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Biochemical Features Distinguish the Foot-and-Mouth Disease Virus Leader Proteinase from Other Papain-Like Enzymes
J.Mol.Biol., 302, 2000
3GVF
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BU of 3gvf by Molmil
1.7 Angstrom crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei bound with phosphate
Descriptor: DI(HYDROXYETHYL)ETHER, Inorganic pyrophosphatase, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-30
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1CYB
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BU of 1cyb by Molmil
NMR STUDIES OF (U-13C)CYCLOSPORIN A BOUND TO CYCLOPHILIN: BOUND CONFORMATION AND PORTIONS OF CYCLOSPORIN INVOLVED IN BINDING
Descriptor: CYCLOSPORIN A
Authors:Fesik, S.W.
Deposit date:1992-02-24
Release date:1994-01-31
Last modified:2024-06-05
Method:SOLUTION NMR
Cite:NMR Studies of [U-13C]Cyclosporin a Bound to Cyclophilin: Bound Conformation and Portions of Cyclosporin Involved in Binding.
Biochemistry, 30, 1991
3GK3
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BU of 3gk3 by Molmil
Crystal structure of acetoacetyl-CoA reductase from Burkholderia pseudomallei 1710b
Descriptor: Acetoacetyl-CoA reductase, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-09
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
2F05
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BU of 2f05 by Molmil
Solution structure of free PAH2 domain of mSin3B
Descriptor: Paired amphipathic helix protein Sin3b
Authors:van Ingen, H, Baltussen, M.A, Aelen, J, Vuister, G.W.
Deposit date:2005-11-11
Release date:2006-03-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Role of Structural and Dynamical Plasticity in Sin3: The Free PAH2 Domain is a Folded Module in mSin3B
J.Mol.Biol., 358, 2006
2FSD
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BU of 2fsd by Molmil
A Common Fold for the Receptor Binding Domains of Lactococcal Phages? The Crystal Structure of the Head Domain of Phage bIL170
Descriptor: putative baseplate protein
Authors:Ricagno, S, Cambillau, C.
Deposit date:2006-01-22
Release date:2006-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Receptor-Binding Protein Head Domain from Lactococcus lactis Phage bIL170
J.Virol., 80, 2006
2J3S
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BU of 2j3s by Molmil
Crystal structure of the human filamin A Ig domains 19 to 21
Descriptor: 1,4-DIETHYLENE DIOXIDE, BROMIDE ION, FILAMIN-A, ...
Authors:Kiema, T.-R, Ylanne, J.
Deposit date:2006-08-23
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Three Tandem Filamin Domains Reveals Auto-Inhibition of Ligand-Binding.
Embo J., 26, 2007
2LL5
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BU of 2ll5 by Molmil
Cyclo-TC1 Trp-cage
Descriptor: Cyclo-TC1
Authors:Lin, J.C, Scian, M, Andersen, N.H.
Deposit date:2011-10-26
Release date:2012-07-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
6AKR
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BU of 6akr by Molmil
Crystal structure of the PDE4D catalytic domain in complex with osthole
Descriptor: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D
Authors:Wang, S, Huo, Y.W, Xie, Y.
Deposit date:2018-09-03
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.326 Å)
Cite:Airway relaxation mechanisms and structural basis of osthole for improving lung function in asthma.
Sci.Signal., 13, 2020
3L6V
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BU of 3l6v by Molmil
Crystal Structure of the Xanthomonas campestris Gyrase A C-terminal Domain
Descriptor: DNA gyrase subunit A
Authors:Hsieh, T.J, Yen, T.J, Lin, T.S, Chang, H.T, Huang, S.Y, Farh, L, Chan, N.L.
Deposit date:2009-12-26
Release date:2010-03-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Twisting of the DNA binding surface by a beta-strand-bearing proline modulates DNA gyrase activity
To be Published
2JAO
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BU of 2jao by Molmil
Crystal structure of D12N variant of mouse cytosolic 5'(3')- deoxyribonucleotidase (cdN) in complex with deoxyguanosine 5'- monophosphate
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, 5'(3')-DEOXYRIBONUCLEOTIDASE, GLYCEROL, ...
Authors:Wallden, K, Ruzzenente, B, Bianchi, V, Nordlund, P.
Deposit date:2006-11-29
Release date:2007-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Human and Murine Deoxyribonucleotidases: Insights Into Recognition of Substrates and Nucleotide Analogues.
Biochemistry, 46, 2007
2ICC
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BU of 2icc by Molmil
Extracellular Domain of CRIg
Descriptor: V-set and immunoglobulin domain-containing protein 4
Authors:Wiesmann, C.
Deposit date:2006-09-12
Release date:2006-11-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
2ILT
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BU of 2ilt by Molmil
Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor
Descriptor: 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T.
Deposit date:2006-10-03
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3HD2
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BU of 3hd2 by Molmil
Crystal structure of E. coli HPPK(Q50A) in complex with MgAMPCPP and pterin
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION, ...
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-05-06
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Role of loop coupling in enzymatic catalysis and conformational dynamics
To be Published

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