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3IEW
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BU of 3iew by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with bound CTP and CDP
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Staker, B.L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-07-23
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
6U3I
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Design of organo-peptides as bipartite PCSK9 antagonists
Descriptor: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.
Deposit date:2019-08-21
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
3IKE
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BU of 3ike by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
7CFT
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Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
8DKY
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BU of 8dky by Molmil
Crystal structure of the Aquifex aeolicus Wzt Carbohydrate Binding Domain bound to 3-O-methyl-D-mannose
Descriptor: 3-O-methyl-alpha-D-mannopyranose, ABC transporter
Authors:Spellmon, N, Zimmer, J.
Deposit date:2022-07-06
Release date:2022-09-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Molecular basis for polysaccharide recognition and modulated ATP hydrolysis by the O antigen ABC transporter.
Nat Commun, 13, 2022
7EXF
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BU of 7exf by Molmil
Crystal structure of wild-type from Arabidopsis thaliana complexed with Galactose
Descriptor: Probable galactinol--sucrose galactosyltransferase 6, beta-D-galactopyranose
Authors:Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J.
Deposit date:2021-05-27
Release date:2022-11-30
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
3IKF
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BU of 3ikf by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
7EXG
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BU of 7exg by Molmil
Crystal structure of D383A mutant from Arabidopsis thaliana complexed with Galactose.
Descriptor: Probable galactinol--sucrose galactosyltransferase 6, beta-D-galactopyranose
Authors:Chuankhayan, P, Guan, H.H, Lin, C.C, Chen, N.C, Huang, Y.C, Yoshimura, M, Nakagawa, A, Lee, R.H, Chen, C.J.
Deposit date:2021-05-27
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into the hydrolase and synthase activities of an alkaline alpha-galactosidase from Arabidopsis from complexes with substrate/product.
Acta Crystallogr D Struct Biol, 79, 2023
1FZD
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BU of 1fzd by Molmil
STRUCTURE OF RECOMBINANT ALPHAEC DOMAIN FROM HUMAN FIBRINOGEN-420
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Spraggon, G, Applegate, D, Everse, S.J, Zhang, J.-Z, Veerapandian, L, Redman, C, Doolittle, R.F, Grieninger, G.
Deposit date:1998-06-22
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a recombinant alphaEC domain from human fibrinogen-420.
Proc.Natl.Acad.Sci.USA, 95, 1998
1QFF
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BU of 1qff by Molmil
E. COLI FERRIC HYDROXAMATE UPTAKE RECEPTOR (FHUA) IN COMPLEX WITH BOUND FERRICHROME-IRON
Descriptor: 2-AMINO-VINYL-PHOSPHATE, 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Ferguson, A.D, Hofmann, E, Coulton, J.W, Diederichs, K, Welte, W.
Deposit date:1999-04-10
Release date:2000-07-26
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins.
Structure Fold.Des., 8, 2000
5FYR
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BU of 5fyr by Molmil
Calcium-dependent phosphoinositol-specific phospholipase C from a Gram-negative bacterium, Pseudomonas sp, apo form, myoinositol complex
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Moroz, O.V, Blagova, E, Lebedev, A.A, Norgaard, A, Segura, D.R, Blicher, T.H, Wilson, K.S.
Deposit date:2016-03-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium.
Acta Crystallogr D Struct Biol, 73, 2017
7LVC
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BU of 7lvc by Molmil
E. coli DHFR by Native Mn,P,S-SAD at Room Temperature
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Hekstra, D.R.
Deposit date:2021-02-24
Release date:2021-03-17
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
6UL5
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BU of 6ul5 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ...
Authors:Ruiz, F.X, Pilch, A, Arnold, E.
Deposit date:2019-10-06
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
5C14
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BU of 5c14 by Molmil
Crystal structure of PECAM-1 D1D2 domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Zhou, D, Paddock, C, Newman, P, Zhu, J.
Deposit date:2015-06-12
Release date:2016-01-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for PECAM-1 homophilic binding.
Blood, 127, 2016
5V8G
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BU of 5v8g by Molmil
Pekin duck lysozyme isoform I (DEL-I)
Descriptor: CHLORIDE ION, THIOCYANATE ION, lysozyme isoform I
Authors:Langley, D.B, Christ, D.
Deposit date:2017-03-22
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis of antigen recognition: crystal structure of duck egg lysozyme.
Acta Crystallogr D Struct Biol, 73, 2017
6K54
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BU of 6k54 by Molmil
Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with trisaccharide
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
Deposit date:2019-05-28
Release date:2020-06-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Novel hyperthermophilic cellobiohydrolase II isolated from hot spring microbial community
To Be Published
6HEW
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BU of 6hew by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069
Descriptor: 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
2WBV
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BU of 2wbv by Molmil
Canine adenovirus 2 fibre head in complex with sialic acid
Descriptor: FIBER PROTEIN, GLYCEROL, N-acetyl-alpha-neuraminic acid, ...
Authors:Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J.
Deposit date:2009-03-05
Release date:2009-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution.
Plos Pathog., 5, 2009
2VZS
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BU of 2vzs by Molmil
Chitosan Product complex of Amycolatopsis orientalis exo-chitosanase CsxA
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose, CADMIUM ION, EXO-BETA-D-GLUCOSAMINIDASE, ...
Authors:Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
Deposit date:2008-08-05
Release date:2008-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
6HEX
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BU of 6hex by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATMM006
Descriptor: 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
4Y63
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BU of 4y63 by Molmil
AAGlyB in complex with amino-acid analogues
Descriptor: 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
2WFO
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BU of 2wfo by Molmil
Crystal structure of Machupo virus envelope glycoprotein GP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCOPROTEIN 1
Authors:Bowden, T.A, Crispin, M, Graham, S.C, Harvey, D.J, Grimes, J.M, Jones, E.Y, Stuart, D.I.
Deposit date:2009-04-09
Release date:2009-06-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Unusual Molecular Architecture of the Machupo Virus Attachment Glycoprotein.
J.Virol., 83, 2009
4Y62
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BU of 4y62 by Molmil
AAGlyB in complex with amino-acid analogues
Descriptor: 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Authors:Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S.
Deposit date:2015-02-12
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
6HEV
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BU of 6hev by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT061
Descriptor: 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
1HGH
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BU of 1hgh by Molmil
BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY
Descriptor: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ...
Authors:Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C.
Deposit date:1991-11-01
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography.
Biochemistry, 31, 1992

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