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3TH0
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BU of 3th0 by Molmil
P22 Tailspike complexed with S.Paratyphi O antigen octasaccharide
Descriptor: Bifunctional tail protein, GLYCEROL, alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose-(1-2)-[alpha-D-Paratopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
Authors:Andres, D, Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2011-08-18
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers.
Glycobiology, 23, 2013
5VT2
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BU of 5vt2 by Molmil
Crystal structure of growth differentiation factor
Descriptor: 1,2-ETHANEDIOL, Growth/differentiation factor 15
Authors:Min, X, Wang, Z.
Deposit date:2017-05-15
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys.
Sci Transl Med, 9, 2017
5LYE
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BU of 5lye by Molmil
Re-refined structure of the bacteriophage T4 short tail fibre PDB entry 1H6W containing 71 additionally identified residues
Descriptor: CHLORIDE ION, Gp12, SULFATE ION
Authors:van Raaij, M.J, Taylor, N.M.I, Leiman, P.G.
Deposit date:2016-09-27
Release date:2018-01-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Contractile injection systems of bacteriophages and related systems.
Mol. Microbiol., 108, 2018
6V8Q
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BU of 6v8q by Molmil
Structure of an inner membrane protein required for PhoPQ regulated increases in outer membrane cardiolipin
Descriptor: (9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Fan, J, Miller, S.
Deposit date:2019-12-11
Release date:2020-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.699585 Å)
Cite:Structure of an Inner Membrane Protein Required for PhoPQ-Regulated Increases in Outer Membrane Cardiolipin.
Mbio, 11, 2020
4P0N
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BU of 4p0n by Molmil
Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor
Descriptor: GLYCEROL, N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, N-[trans-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine, ...
Authors:Chmait, S.
Deposit date:2014-02-21
Release date:2014-10-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
4P1R
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BU of 4p1r by Molmil
Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors
Descriptor: GLYCEROL, N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine, SULFATE ION, ...
Authors:Chmait, S.
Deposit date:2014-02-27
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).
Acs Med.Chem.Lett., 5, 2014
3SZB
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BU of 3szb by Molmil
Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Descriptor: 1-phenylpropan-1-one, ACETATE ION, Aldehyde dehydrogenase, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
3SZA
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BU of 3sza by Molmil
Crystal structure of human ALDH3A1 - apo form
Descriptor: ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ...
Authors:Khanna, M, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
1PDI
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BU of 1pdi by Molmil
Fitting of the C-terminal part of the short tail fibers into the cryo-EM reconstruction of T4 baseplate
Descriptor: Short tail fiber protein
Authors:Kostyuchenko, V.A, Leiman, P.G, Chipman, P.R, Kanamaru, S, van Raaij, M.J, Arisaka, F, Mesyanzhinov, V.V, Rossmann, M.G.
Deposit date:2003-05-19
Release date:2003-09-09
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Three-dimensional structure of bacteriophage T4 baseplate
Nat.Struct.Biol., 10, 2003
1LKT
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BU of 1lkt by Molmil
CRYSTAL STRUCTURE OF THE HEAD-BINDING DOMAIN OF PHAGE P22 TAILSPIKE PROTEIN
Descriptor: TAILSPIKE PROTEIN
Authors:Steinbacher, S.
Deposit date:1997-10-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Phage P22 tailspike protein: crystal structure of the head-binding domain at 2.3 A, fully refined structure of the endorhamnosidase at 1.56 A resolution, and the molecular basis of O-antigen recognition and cleavage.
J.Mol.Biol., 267, 1997
3EYW
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BU of 3eyw by Molmil
Crystal structure of the C-terminal domain of E. coli KefC in complex with KefF
Descriptor: C-terminal domain of Glutathione-regulated potassium-efflux system protein kefC fused to full length Glutathione-regulated potassium-efflux system ancillary protein kefF, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ...
Authors:Roosild, T.P.
Deposit date:2008-10-22
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:KTN (RCK) Domains Regulate K(+) Channels and Transporters by Controlling the Dimer-Hinge Conformation.
Structure, 17, 2009
3L9W
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BU of 3l9w by Molmil
KefC C-terminal domain in complex with KefF and GSH
Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, GLUTATHIONE, ...
Authors:Roosild, T.P.
Deposit date:2010-01-05
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism of ligand-gated potassium efflux in bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 107, 2010
3L9X
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BU of 3l9x by Molmil
KefC C-terminal domain in complex with KefF and ESG
Descriptor: FLAVIN MONONUCLEOTIDE, Glutathione-regulated potassium-efflux system protein kefC, linker, ...
Authors:Roosild, T.P.
Deposit date:2010-01-05
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of ligand-gated potassium efflux in bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 107, 2010
5AJI
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BU of 5aji by Molmil
MscS D67R1 high resolution
Descriptor: DECANE, HEXANE, N-OCTANE, ...
Authors:Naismith, J.H, Pliotas, C.
Deposit date:2015-02-24
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The Role of Lipids in Mechanosensation.
Nat.Struct.Mol.Biol., 22, 2015
3BGL
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BU of 3bgl by Molmil
Hepatoselectivity of Statins: Design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors
Descriptor: (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Finzel, B.C, Pavlovsky, A, Park, W.K.C.
Deposit date:2007-11-26
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.225 Å)
Cite:Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2VV5
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BU of 2vv5 by Molmil
The open structure of MscS
Descriptor: SMALL-CONDUCTANCE MECHANOSENSITIVE CHANNEL
Authors:Wang, W, Dong, C, Johnson, K.A, Naismith, J.H.
Deposit date:2008-06-03
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:The Structure of an Open Form of an E. Coli Mechanosensitive Channel at 3.45 A Resolution.
Science, 321, 2008
2B2X
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BU of 2b2x by Molmil
VLA1 RdeltaH I-domain complexed with a quadruple mutant of the AQC2 Fab
Descriptor: Antibody AQC2 Fab, Integrin alpha-1, MAGNESIUM ION
Authors:Clark, L.A, Boriack-Sjodin, P.A, Eldredge, J, Fitch, C, Friedman, B, Hanf, K.J, Jarpe, M, Liparoto, S.F, Li, Y, Lugovskoy, A.
Deposit date:2005-09-19
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design
Protein Sci., 15, 2006
3N80
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BU of 3n80 by Molmil
Human mitochondrial aldehyde dehydrogenase, apo form
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Gonzalez-Segura, L, Hurley, T.D.
Deposit date:2010-05-27
Release date:2011-04-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published
3N82
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BU of 3n82 by Molmil
T244A mutant of Human mitochondrial aldehyde dehydrogenase, NADH complex
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Gonzalez-Segura, L, Hurley, T.D.
Deposit date:2010-05-27
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published
3N81
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BU of 3n81 by Molmil
T244A mutant of Human mitochondrial aldehyde dehydrogenase, apo form
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Gonzalez-Segura, L, Hurley, T.D.
Deposit date:2010-05-27
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published
3N83
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BU of 3n83 by Molmil
T244A mutant of human mitochondrial aldehyde dehydrogenase, NAD complex
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ...
Authors:Gonzalez-Segura, L, Hurley, T.D.
Deposit date:2010-05-27
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Selection During Catalysis: The role of Threonine 244 in ALDH2
To be published
3NO8
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BU of 3no8 by Molmil
Crystal structure of the PHR domain from human BTBD2 Protein
Descriptor: BTB/POZ domain-containing protein 2, GLYCEROL, SULFATE ION
Authors:Sampathkumar, P, Miller, S, Rutter, M, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-06-24
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the PHR domain from human BTBD2 Protein
To be Published
3EOT
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BU of 3eot by Molmil
Crystal structure of LAC031, an engineered anti-VLA1 Fab
Descriptor: FAB FRAGMENT, HEAVY CHAIN, LIGHT CHAIN
Authors:Boriack-Sjodin, P.A, Clark, L.A.
Deposit date:2008-09-29
Release date:2009-01-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An antibody loop replacement design feasibility study and a loop-swapped dimer structure.
Protein Eng.Des.Sel., 22, 2009
3H14
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BU of 3h14 by Molmil
Crystal structure of a putative aminotransferase from Silicibacter pomeroyi
Descriptor: Aminotransferase, classes I and II, GLYCEROL
Authors:Sampathkumar, P, Atwell, S, Wasserman, S, Miller, S, Bain, K, Rutter, M, Tarun, G, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-10
Release date:2009-05-05
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a putative aminotransferase from Silicibacter pomeroyi
TO BE PUBLISHED
1PMA
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BU of 1pma by Molmil
PROTEASOME FROM THERMOPLASMA ACIDOPHILUM
Descriptor: PROTEASOME
Authors:Loewe, J, Stock, D, Jap, B, Zwickl, P, Baumeister, W, Huber, R.
Deposit date:1994-12-19
Release date:1996-06-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the 20S proteasome from the archaeon T. acidophilum at 3.4 A resolution.
Science, 268, 1995

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