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3KBS
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BU of 3kbs by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
Descriptor: CADMIUM ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBV
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BU of 3kbv by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
Descriptor: NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBW
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BU of 3kbw by Molmil
Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
Descriptor: MAGNESIUM ION, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBM
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BU of 3kbm by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KCJ
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BU of 3kcj by Molmil
Room temperature neutron structure of apo-D-Xylose Isomerase (refined jointly with X-ray structure 3KBJ)
Descriptor: Xylose isomerase
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-09-29
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values
Angew.Chem.Int.Ed.Engl., 50, 2011
3KCL
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BU of 3kcl by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Cd2+ cations and d12-D-alpha-glucose in the ring form (refined jointly with X-ray structure 3KBM)
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBJ
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BU of 3kbj by Molmil
Room temperature X-ray structure of apo-D-Xylose Isomerase
Descriptor: Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
3X2W
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BU of 3x2w by Molmil
Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
Authors:Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
3KCO
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BU of 3kco by Molmil
Room temperature neutron structure of D-Xylose Isomerase in complex with two Ni2+ cations and d12-D-glucose in the linear form (refined jointly with X-ray structure 3KBN)
Descriptor: D-glucose, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2009-10-21
Release date:2010-06-16
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBN
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BU of 3kbn by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors and d12-D-glucose in the linear form
Descriptor: D-glucose, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KGG
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BU of 3kgg by Molmil
X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction
Descriptor: CALCIUM ION, Diisopropyl-fluorophosphatase
Authors:Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H.
Deposit date:2009-10-29
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010
3X2V
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BU of 3x2v by Molmil
Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
Authors:Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
3X2U
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BU of 3x2u by Molmil
Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ...
Authors:Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
2Y75
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BU of 2y75 by Molmil
The Structure of CymR (YrzC) the Global Cysteine Regulator of B. subtilis
Descriptor: CHLORIDE ION, HTH-TYPE TRANSCRIPTIONAL REGULATOR CYMR, SULFATE ION
Authors:Shepard, W, Soutourina, O, Courtois, E, England, P, Haouz, A, Martin-Verstraete, I.
Deposit date:2011-01-28
Release date:2011-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights Into the Rrf2 Repressor Family - the Structure of Cymr, the Global Cysteine Regulator of Bacillus Subtilis.
FEBS J., 278, 2011
5LXL
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BU of 5lxl by Molmil
NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10
Descriptor: Decoration protein
Authors:Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S.
Deposit date:2016-09-22
Release date:2017-04-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
5FN0
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BU of 5fn0 by Molmil
Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180
Descriptor: 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE
Authors:Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P.
Deposit date:2015-11-10
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis.
Nat.Med. (N.Y.), 22, 2016
6ZAA
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BU of 6zaa by Molmil
PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide
Descriptor: 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
Deposit date:2020-06-05
Release date:2020-07-15
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
3CWH
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BU of 3cwh by Molmil
D-xylose Isomerase in complex with linear product, per-deuterated xylulose
Descriptor: D-XYLULOSE, HYDROXIDE ION, MAGNESIUM ION, ...
Authors:Kovalevsky, A.Y, Langan, P, Glusker, J.P.
Deposit date:2008-04-21
Release date:2008-08-05
Last modified:2023-08-30
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Hydrogen location in stages of an enzyme-catalyzed reaction: time-of-flight neutron structure of D-xylose isomerase with bound D-xylulose
Biochemistry, 47, 2008
2XU0
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BU of 2xu0 by Molmil
Crystal structure of the NTS-DBL1(alpha-1) domain of the Plasmodium falciparum membrane protein 1 (PfEMP1) from the varO strain.
Descriptor: ERYTHROCYTE MEMBRANE PROTEIN 1, GLYCEROL, MAGNESIUM ION, ...
Authors:Juillerat, A, Lewit-Bentley, A, Guillotte, M, Vigan-Womas, I, Hessler, A, Gangnard, S, England, P, Mercereau-Puijalon, O, Bentley, G.A.
Deposit date:2010-10-14
Release date:2011-04-06
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of a Plasmodium Falciparum Pfemp1 Rosetting Domain Reveals a Role for the N-Terminal Segment in Heparin-Mediated Rosette Inhibition.
Proc.Natl.Acad.Sci.USA, 108, 2011
6ZAD
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BU of 6zad by Molmil
PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione
Authors:Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
Deposit date:2020-06-05
Release date:2020-07-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
8C9X
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BU of 8c9x by Molmil
human alpha7 nicotinic receptor in complex with the C4 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody C4, ...
Authors:Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
Deposit date:2023-01-23
Release date:2023-10-11
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
8CAU
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BU of 8cau by Molmil
human alpha7 nicotinic receptor in complex with the C4 nanobody and nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
Deposit date:2023-01-24
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
8CI2
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BU of 8ci2 by Molmil
human alpha7 nicotinic receptor in complex with the C4 nanobody under sub-saturating conditions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody C4, ...
Authors:Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
Deposit date:2023-02-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
8CE4
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BU of 8ce4 by Molmil
Human alpha7 nicotinic receptor in complex with the E3 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody E3, ...
Authors:Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
Deposit date:2023-02-01
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023
8CI1
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BU of 8ci1 by Molmil
Human alpha7 nicotinic receptor in complex with the E3 nanobody and nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Prevost, M.S, Barilone, N, Dejean de la Batie, G, Pons, S, Ayme, G, England, P, Gielen, M, Bontems, F, Pehau-Arnaudet, G, Maskos, U, Lafaye, P, Corringer, P.-J.
Deposit date:2023-02-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:An original potentiating mechanism revealed by the cryo-EM structures of the human alpha 7 nicotinic receptor in complex with nanobodies.
Nat Commun, 14, 2023

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