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4OLQ
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BU of 4olq by Molmil
Crystal Structure of a Putative enoyl-CoA hydratase/isomerase family protein from Hyphomonas neptunium
Descriptor: D-MALATE, DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase/isomerase family protein, ...
Authors:Szlachta, K, Cooper, D.R, Chapman, H.C, Cymborowski, M.T, Stead, M, Hillerich, B, Ahmed, M, Bonanno, J.B, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-01-24
Release date:2014-03-12
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a Putative enoyl-CoA hydratase/isomerase family protein from Hyphomonas neptunium
To be Published
4OMD
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BU of 4omd by Molmil
X-ray structure of human furin in complex with the competitive inhibitor Phac-RVR-Amba
Descriptor: CALCIUM ION, FORMIC ACID, Furin, ...
Authors:Dahms, S.O, Than, M.E.
Deposit date:2014-01-27
Release date:2014-04-09
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray Structures of Human Furin in Complex with Competitive Inhibitors.
Acs Chem.Biol., 9, 2014
4OV6
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BU of 4ov6 by Molmil
Crystal structure of PCSK9(53-451) with Adnectin
Descriptor: 1,2-ETHANEDIOL, Adnectin, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Khan, J.A.
Deposit date:2014-02-20
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Pharmacologic Profile of the Adnectin BMS-962476, a Small Protein Biologic Alternative to PCSK9 Antibodies for Low-Density Lipoprotein Lowering.
J.Pharmacol.Exp.Ther., 350, 2014
2PEG
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BU of 2peg by Molmil
Crystal structure of Trematomus bernacchii hemoglobin in a partial hemichrome state
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vergara, A, Franzese, M, Merlino, A, Vitagliano, L, Mazzarella, L.
Deposit date:2007-04-03
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural characterization of ferric hemoglobins from three antarctic fish species of the suborder notothenioidei.
Biophys.J., 93, 2007
4KNX
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BU of 4knx by Molmil
Hin GlmU Bound to WG176
Descriptor: Bifunctional protein GlmU, MAGNESIUM ION, SULFATE ION, ...
Authors:Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A.
Deposit date:2013-05-10
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KRX
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BU of 4krx by Molmil
Structure of Aes from E. coli
Descriptor: Acetyl esterase, TETRAETHYLENE GLYCOL
Authors:Schiefner, A, Gerber, K, Brosig, A, Boos, W.
Deposit date:2013-05-17
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and mutational analyses of Aes, an inhibitor of MalT in Escherichia coli.
Proteins, 82, 2014
4BFN
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BU of 4bfn by Molmil
Crystal Structure of the Starch-Binding Domain from Rhizopus oryzae Glucoamylase in Complex with isomaltotetraose
Descriptor: GLUCOAMYLASE, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose
Authors:Chu, C.H, Li, K.M, Lin, S.W, Sun, Y.J.
Deposit date:2013-03-21
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal Structures of Starch Binding Domain from Rhizopus Oryzae Glucoamylase in Complex with Isomaltooligosaccharide: Insights Into Polysaccharide Binding Mechanism of Cbm21 Family.
Proteins, 82, 2014
4KTP
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BU of 4ktp by Molmil
Crystal structure of 2-O-alpha-glucosylglycerol phosphorylase in complex with glucose
Descriptor: CALCIUM ION, Glycoside hydrolase family 65 central catalytic, PENTAETHYLENE GLYCOL, ...
Authors:Touhara, K.K, Nihira, T, Kitaoka, M, Nakai, H, Fushinobu, S.
Deposit date:2013-05-21
Release date:2014-05-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for reversible phosphorolysis and hydrolysis reactions of 2-O-alpha-glucosylglycerol phosphorylase
J.Biol.Chem., 289, 2014
4MK3
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BU of 4mk3 by Molmil
Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h)
Descriptor: Glutathione S-transferase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, MAGNESIUM ION, ...
Authors:Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-09-04
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Crystal structure of a glutathione transferase family member from Cupriavidus metallidurans CH34, target EFI-507362, with bound glutathione sulfinic acid (gso2h)
To be published
3DUS
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BU of 3dus by Molmil
Crystal structure of SAG506-01, orthorhombic, twinned, crystal 1
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
Authors:Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
Deposit date:2008-07-17
Release date:2008-12-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
4KF1
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BU of 4kf1 by Molmil
Crystal structure of SsoPox W263I in complex with C10HTL
Descriptor: (4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium, 1,2-ETHANEDIOL, Aryldialkylphosphatase, ...
Authors:Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
Deposit date:2013-04-26
Release date:2013-10-02
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
4DQK
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BU of 4dqk by Molmil
Crystal structure of the FAD binding domain of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Joyce, M.G, Leys, D.
Deposit date:2012-02-16
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the FAD/NADPH-binding domain of flavocytochrome P450 BM3.
Febs J., 279, 2012
4BKW
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BU of 4bkw by Molmil
Crystal structure of the C-terminal region of human ZFYVE9
Descriptor: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, ZINC FINGER FYVE DOMAIN-CONTAINING PROTEIN 9
Authors:Williams, E, Krojer, T, Vollmar, M, Shrestha, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-04-30
Release date:2013-05-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal Structure of the C-Terminal Region of Human Zfyve9
Ph D Thesis, 2013
4ASW
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BU of 4asw by Molmil
Structure of the complex between the N-terminal dimerisation domain of Sgt2 and the UBL domain of Get5
Descriptor: SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CONTAINING PROTEIN 2, UBIQUITIN-LIKE PROTEIN MDY2
Authors:Simon, A.C, Simpson, P.J, Goldstone, R.M, Krysztofinska, E.M, Murray, J.W, High, S, Isaacson, R.L.
Deposit date:2012-05-03
Release date:2013-01-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the Sgt2/Get5 Complex Provides Insights Into Get-Mediated Targeting of Tail-Anchored Membrane Proteins
Proc.Natl.Acad.Sci.USA, 110, 2013
3H0H
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BU of 3h0h by Molmil
human Fyn SH3 domain R96I mutant, crystal form I
Descriptor: Proto-oncogene tyrosine-protein kinase Fyn, TETRAETHYLENE GLYCOL
Authors:Dumas, C, Strub, M.-P, Arold, S.T.
Deposit date:2009-04-09
Release date:2010-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
4ASV
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BU of 4asv by Molmil
Solution structure of the N-terminal dimerisation domain of Sgt2
Descriptor: SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CONTAINING PROTEIN 2
Authors:Simon, A.C, Simpson, P.J, Goldstone, R.M, Krysztofinska, E.M, Murray, J.W, High, S, Isaacson, R.L.
Deposit date:2012-05-03
Release date:2013-01-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure of the Sgt2/Get5 Complex Provides Insights Into Get-Mediated Targeting of Tail-Anchored Membrane Proteins
Proc.Natl.Acad.Sci.USA, 110, 2013
4GPQ
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BU of 4gpq by Molmil
Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Menin, ...
Authors:Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T.
Deposit date:2012-08-21
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
3GP5
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BU of 3gp5 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 3-phosphoglyceric acid and vanadate
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, 3-PHOSPHOGLYCERIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-20
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
4GYB
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BU of 4gyb by Molmil
Two-domain laccase from streptomyces lividans at 2.4 A resolution AC1709
Descriptor: CHLORIDE ION, COPPER (II) ION, Copper oxidase, ...
Authors:Gabdulkhakov, A, Tischenko, S, Yurevich, L, Lisov, A, Leontievsky, A.
Deposit date:2012-09-05
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Two-domain laccase from streptomyces lividans at 2.4 A resolution AC1709
To be Published
4ESV
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BU of 4esv by Molmil
A New Twist on the Translocation Mechanism of Helicases from the Structure of DnaB with its Substrates
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', 5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', ...
Authors:Itsathitphaisarn, O, Wing, R.A, Eliason, W.K, Wang, J, Steitz, T.A.
Deposit date:2012-04-23
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Hexameric Helicase DnaB Adopts a Nonplanar Conformation during Translocation.
Cell(Cambridge,Mass.), 151, 2012
3H9R
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BU of 3h9r by Molmil
Crystal structure of the kinase domain of type I activin receptor (ACVR1) in complex with FKBP12 and dorsomorphin
Descriptor: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-1, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Chaikuad, A, Alfano, I, Shrestha, B, Muniz, J.R.C, Petrie, K, Fedorov, O, Phillips, C, Bishop, S, Mahajan, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2009-04-30
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the Bone Morphogenetic Protein Receptor ALK2 and Implications for Fibrodysplasia Ossificans Progressiva.
J.Biol.Chem., 287, 2012
4ETG
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BU of 4etg by Molmil
Crystal Structure of MIF L46G mutant
Descriptor: Macrophage migration inhibitory factor, SULFATE ION
Authors:Ashrafi, A, Pojer, F, Lashuel, H.
Deposit date:2012-04-24
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket.
Plos One, 7, 2012
4EVG
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BU of 4evg by Molmil
Crystal Structure of MIF L46A mutant
Descriptor: Macrophage migration inhibitory factor, SULFATE ION
Authors:Ashrafi, A, Pojer, F, Lashuel, H.
Deposit date:2012-04-26
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket.
Plos One, 7, 2012
4NB7
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BU of 4nb7 by Molmil
Crystal Structure of Two-Domain Laccase from Streptomyces LIvidans AC1709 in complex with azide after 180 min soaking
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, AZIDE ION, ...
Authors:Gabdulkhakov, A, Tischenko, S, Yurevich, L, Lisov, A, Leontievsky, A.
Deposit date:2013-10-23
Release date:2014-10-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Two-Domain Laccase from Streptomyces Lividans AC1709 in complex with azide after 180 min soaking
To be Published
4K3O
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BU of 4k3o by Molmil
E. coli sliding clamp in complex with AcQADLF
Descriptor: (ACE)QADLF, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-04-11
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013

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