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1LBS
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BU of 1lbs by Molmil
LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE B, N-HEXYLPHOSPHONATE ETHYL ESTER
Authors:Uppenberg, J, Jones, T.A.
Deposit date:1995-07-11
Release date:1995-10-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols.
Biochemistry, 34, 1995
3CIF
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BU of 3cif by Molmil
Crystal Structure of C153S mutant glyceraldehyde 3-phosphate dehydrogenase from Cryptosporidium parvum
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Cook, W.J, Senkovich, O, Chattopadhyay, D.
Deposit date:2008-03-11
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:An unexpected phosphate binding site in Glyceraldehyde 3-Phosphate Dehydrogenase: Crystal structures of apo, holo and ternary complex of Cryptosporidium parvum enzyme
BMC STRUCT.BIOL., 9, 2009
4OHK
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BU of 4ohk by Molmil
Human GKRP bound to AMG-2526 and S6P
Descriptor: (2R)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1-trifluorohex-4-yn-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-01-17
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
1UY2
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BU of 1uy2 by Molmil
Binding sub-site dissection of a family 6 carbohydrate-binding module by X-ray crystallography and isothermal titration calorimetry
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE A, GLYCEROL, ...
Authors:Van Bueren, A.L, Boraston, A.B.
Deposit date:2004-03-01
Release date:2004-06-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding Sub-Site Dissection of a Carbohydrate-Binding Module Reveals the Contribution of Entropy to Oligosaccharide Recognition at "Non-Primary" Binding Subsites.
J.Mol.Biol., 340, 2004
4OHM
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BU of 4ohm by Molmil
Human GKRP bound to AMG-0771 and sorbitol-6-phosphate
Descriptor: (2S)-2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-3,3,3-trifluoropropane-1,2-diol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R, Chmait, S.
Deposit date:2014-01-17
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.
J.Med.Chem., 57, 2014
1RLZ
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BU of 1rlz by Molmil
Deoxyhypusine synthase holoenzyme in its high ionic strength, low pH crystal form
Descriptor: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
Deposit date:2003-11-26
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
1ROZ
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BU of 1roz by Molmil
Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form
Descriptor: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
Deposit date:2003-12-02
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
8OZC
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BU of 8ozc by Molmil
cryoEM structure of SPARTA complex heterodimer apo
Descriptor: Piwi domain-containing protein, TIR domain-containing protein
Authors:Ekundayo, B, Ni, D.C, Lu, X.H, Stahlberg, H.
Deposit date:2023-05-09
Release date:2023-08-16
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Sci Adv, 9, 2023
8OZF
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BU of 8ozf by Molmil
cryoEM structure of SPARTA complex Tetramer Post-NAD cleavage-2
Descriptor: DNA (5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), Piwi domain-containing protein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ...
Authors:Babatunde, E, Dong, C.N, Xu, H.L, Henning, S.
Deposit date:2023-05-09
Release date:2023-08-16
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Activation mechanism of a short argonaute-TIR prokaryotic immune system.
Sci Adv, 9, 2023
1XD6
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BU of 1xd6 by Molmil
Crystal structures of novel monomeric monocot mannose-binding lectins from Gastrodia elata
Descriptor: SULFATE ION, gastrodianin-4
Authors:Liu, W, Yang, N, Wang, M, Huang, R.H, Hu, Z, Wang, D.C.
Deposit date:2004-09-04
Release date:2005-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Mechanism Governing the Quaternary Organization of Monocot Mannose-binding Lectin Revealed by the Novel Monomeric Structure of an Orchid Lectin
J.Biol.Chem., 280, 2005
5XMR
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BU of 5xmr by Molmil
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and GS395
Descriptor: (4~{S})-6-azanyl-3-methyl-4-[3-[4-(phenylmethyl)sulfonylphenyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2 ,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
Deposit date:2017-05-16
Release date:2017-11-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs
Chemistry, 23, 2017
1TFD
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BU of 1tfd by Molmil
HIGH-RESOLUTION X-RAY STUDIES ON RABBIT SERUM TRANSFERRIN: PRELIMINARY STRUCTURE ANALYSIS OF THE N-TERMINAL HALF-MOLECULE AT 2.3 ANGSTROMS RESOLUTION
Descriptor: CARBONATE ION, FE (III) ION, TRANSFERRIN
Authors:Sarra, R, Lindley, P.F.
Deposit date:1990-08-16
Release date:1993-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:High-Resolution X-Ray Studies on Rabbit Serum Transferrin: Preliminary Structure Analysis of the N-Terminal Half-Molecule at 2.3 Angstroms Resolution
Acta Crystallogr.,Sect.B, 46, 1990
1PP7
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BU of 1pp7 by Molmil
Crystal structure of the T. vaginalis Initiator binding protein bound to the ferredoxin Inr
Descriptor: 39 kDa initiator binding protein, FERREDOXIN INR, ZINC ION
Authors:Schumacher, M.A, Lau, A.O.T, Johnson, P.J.
Deposit date:2003-06-16
Release date:2003-11-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Basis of Core Promoter Recognition in a Primitive Eukaryote
Cell(Cambridge,Mass.), 115, 2003
3O4C
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BU of 3o4c by Molmil
Crystal structure of Symfoil-4V: de novo designed beta-trefoil architecture with symmetric primary structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Lee, J, Blaber, M.
Deposit date:2010-07-26
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
1Q89
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BU of 1q89 by Molmil
Crystal structure of the C-domain of the T.vaginalis Inr binding protein, IBP39 (cubic crystal form)
Descriptor: 39 kDa initiator binding protein
Authors:Schumacher, M.A, Johnson, P.J.
Deposit date:2003-08-20
Release date:2003-11-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of Core Promoter Recognition in a Primitive Eukaryote
Cell(Cambridge,Mass.), 115, 2003
6Z72
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BU of 6z72 by Molmil
SARS-CoV-2 Macrodomain in complex with ADP-HPM
Descriptor: 1,2-ETHANEDIOL, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, D-MALATE, ...
Authors:Zorzini, V, Rack, J, Ahel, I.
Deposit date:2020-05-29
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
3O4B
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BU of 3o4b by Molmil
Crystal structure of Symfoil-4T: de novo designed beta-trefoil architecture with symmetric primary structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Lee, J, Blaber, M.
Deposit date:2010-07-26
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
8A9M
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BU of 8a9m by Molmil
Hippeastrum hybrid agglutinin, HHA, complex with beta-mannose
Descriptor: Agglutinin, PHOSPHATE ION, beta-D-mannopyranose
Authors:Rizkallah, P.J.
Deposit date:2022-06-28
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure solution of amaryllis lectin by molecular replacement with only 4% of the total diffracting matter.
Acta Crystallogr D Biol Crystallogr, 52, 1996
8IL1
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BU of 8il1 by Molmil
Free Thanatin IM14
Descriptor: Free IM14
Authors:Swaleeha, A, Bhattacharyya, S.
Deposit date:2023-03-01
Release date:2024-03-06
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Free Thanatin IM14
To Be Published
8PK2
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BU of 8pk2 by Molmil
Cryo EM structure of the type 1m polymorph of alpha-synuclein
Descriptor: Alpha-synuclein
Authors:Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R.
Deposit date:2023-06-24
Release date:2024-05-29
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
3O4A
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BU of 3o4a by Molmil
Crystal structure of Symfoil-2: de novo designed beta-trefoil architecture with symmetric primary structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo designed beta-trefoil architecture with symmetric primary structure
Authors:Lee, J, Blaber, M.
Deposit date:2010-07-26
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
8PIX
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BU of 8pix by Molmil
Cryo EM structure of the type 3C polymorph of alpha-synuclein at low pH.
Descriptor: Alpha-synuclein
Authors:Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R.
Deposit date:2023-06-22
Release date:2024-05-29
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
8PJO
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BU of 8pjo by Molmil
Cryo EM structure of the type 3D polymorph of alpha-synuclein E46K mutant at low pH.
Descriptor: Alpha-synuclein, CHLORIDE ION
Authors:Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R.
Deposit date:2023-06-23
Release date:2024-05-29
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (2.31 Å)
Cite:On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
8PK4
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BU of 8pk4 by Molmil
Cryo EM structure of the type 5A polymorph of alpha-synuclein.
Descriptor: Alpha-synuclein
Authors:Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R.
Deposit date:2023-06-24
Release date:2024-05-29
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation.
Elife, 12, 2024
1TYO
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BU of 1tyo by Molmil
Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix in complex with etheno-NADP
Descriptor: ETHENO-NADP, isocitrate dehydrogenase
Authors:Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N, Ladenstein, R.
Deposit date:2004-07-08
Release date:2005-07-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability
J.Mol.Biol., 345, 2005

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