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4BMB
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BU of 4bmb by Molmil
Crystal structure of the N terminal domain of human Galectin 8
Descriptor: GALECTIN-8, GLYCEROL, SODIUM ION, ...
Authors:Buzamet, E, Ruiz, F.M, Menendez, M, Romero, A, Gabius, H.J, Solis, D.
Deposit date:2013-05-07
Release date:2014-03-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Natural Single Amino Acid Polymorphism (F19Y) in Human Galectin-8: Detection of Structural Alterations and Increased Growth-Regulatory Activity on Tumor Cells.
FEBS J., 281, 2014
1SII
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BU of 1sii by Molmil
AGAO in covalent complex with the inhibitor NOBA ("4-(2-naphthyloxy)-2-butyn-1-amine")
Descriptor: COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ...
Authors:Guss, J.M, Langley, D.B, Duff, A.P.
Deposit date:2004-02-29
Release date:2004-09-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Differential Inhibition of Six Copper Amine Oxidases by a Family of 4-(Aryloxy)-2-butynamines: Evidence for a New Mode of Inactivation.
Biochemistry, 43, 2004
3QEL
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BU of 3qel by Molmil
Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2B in complex with ifenprodil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, Glutamate [NMDA] receptor subunit epsilon-2, ...
Authors:Karakas, E, Simorowski, N, Furukawa, H.
Deposit date:2011-01-20
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Subunit arrangement and phenylethanolamine binding in GluN1/GluN2B NMDA receptors.
Nature, 475, 2011
2EVR
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BU of 2evr by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE GAMMA-D-GLUTAMYL-L-DIAMINO ACID ENDOPEPTIDASE (NPUN_R0659) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.60 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COG0791: Cell wall-associated hydrolases (invasion-associated proteins), ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-10-31
Release date:2005-11-22
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of Murein Peptide Specificity of a gamma-D-Glutamyl-L-Diamino Acid Endopeptidase.
Structure, 17, 2009
1S5B
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BU of 1s5b by Molmil
Cholera holotoxin with an A-subunit Y30S mutation Form 3
Descriptor: Cholera enterotoxin, A chain precursor, SODIUM ION, ...
Authors:O'Neal, C.J, Amaya, E.I, Jobling, M.G, Holmes, R.K, Hol, W.G.
Deposit date:2004-01-20
Release date:2004-04-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structures of an intrinsically active cholera toxin mutant yield insight into the toxin activation mechanism
Biochemistry, 43, 2004
1S81
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BU of 1s81 by Molmil
PORCINE TRYPSIN WITH NO INHIBITOR BOUND
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E.
Deposit date:2004-01-30
Release date:2004-03-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
4CD5
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BU of 4cd5 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ...
Authors:Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4BOW
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BU of 4bow by Molmil
Crystal structure of LamA_E269S from Z. galactanivorans in complex with laminaritriose and laminaritetraose
Descriptor: CALCIUM ION, ENDO-1,3-BETA-GLUCANASE, FAMILY GH16, ...
Authors:Labourel, A, Jeudy, A, Czjzek, M, Michel, G.
Deposit date:2013-05-22
Release date:2013-12-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Beta-Glucanase Zglama from Zobellia Galactanivorans Evolved a Bent Active Site Adapted for Efficient Degradation of Algal Laminarin
J.Biol.Chem., 289, 2014
3QG7
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BU of 3qg7 by Molmil
Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody
Descriptor: AP4-24H11 Antibody Heavy Chain, AP4-24H11 Antibody Light Chain, HEXAETHYLENE GLYCOL, ...
Authors:Kirchdoerfer, R.K, Kaufmann, G.F, Janda, J.D, Wilson, I.A.
Deposit date:2011-01-24
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody.
J.Biol.Chem., 286, 2011
2CG0
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BU of 2cg0 by Molmil
AGAO in complex with wc9a (Ru-wire inhibitor, 9-carbon linker, data set a)
Descriptor: COPPER (II) ION, GLYCEROL, PHENYLETHYLAMINE OXIDASE, ...
Authors:Langley, D.B, Duff, A.P, Freeman, H.C, Guss, J.M, Juda, G.A, Dooley, D.M, Contakes, S.M, Halpern-Manners, N.W, Dunn, A.R, Gray, H.B.
Deposit date:2006-02-27
Release date:2007-05-01
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter Globiformis.
J.Am.Chem.Soc., 130, 2008
4CD4
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BU of 4cd4 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ...
Authors:Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
2CKR
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BU of 2ckr by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5) E355Q IN COMPLEX WITH CELLOTETRAOSE
Descriptor: BENZAMIDINE, ENDOGLUCANASE E-5, SODIUM ION, ...
Authors:Berglund, G.I, Gualfetti, P.J, Requadt, C, Gross, L.S, Bergfors, T, Shaw, A, Saldajeno, M, Mitchinson, C, Sandgren, M.
Deposit date:2006-04-21
Release date:2007-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The Crystal Structure of the Catalytic Domain of Thermobifida Fusca Endoglucanase Cel5A in Complex with Cellotetraose
To be Published
2D1E
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BU of 2d1e by Molmil
Crystal structure of PcyA-biliverdin complex
Descriptor: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION
Authors:Hagiwara, Y, Sugishima, M, Takahashi, Y, Fukuyama, K.
Deposit date:2005-08-17
Release date:2006-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin IXalpha, a key enzyme in the biosynthesis of phycocyanobilin
Proc.Natl.Acad.Sci.Usa, 103, 2006
2CN0
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BU of 2cn0 by Molmil
Complex of Recombinant Human Thrombin with a Designed Inhibitor
Descriptor: 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE, CALCIUM ION, HIRUDIN IIA, ...
Authors:Hoffmann-Roder, A, Schweizer, E, Egger, J, Seiler, P, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F.
Deposit date:2006-05-17
Release date:2006-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mapping the Fluorophilicity of a Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups Into the P Pocket
Chemmedchem, 1, 2006
1SGW
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BU of 1sgw by Molmil
Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001
Descriptor: CHLORIDE ION, SODIUM ION, putative ABC transporter
Authors:Liu, Z.J, Tempel, W, Shah, A, Chen, L, Lee, D, Kelley, L.-L.C, Dillard, B.D, Rose, J.P, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-02-24
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001
To be Published
1SK4
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BU of 1sk4 by Molmil
crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha
Descriptor: Peptidoglycan recognition protein I-alpha, SODIUM ION
Authors:Guan, R, Malchiodi, E.L, Qian, W, Schuck, P, Mariuzza, R.A.
Deposit date:2004-03-04
Release date:2004-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha
J.Biol.Chem., 279, 2004
4C1P
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BU of 4c1p by Molmil
Geobacillus thermoglucosidasius GH family 52 xylosidase
Descriptor: BETA-XYLOSIDASE, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Espina, G, Eley, K, Schneider, T.R, Crennell, S.J, Danson, M.J.
Deposit date:2013-08-13
Release date:2014-05-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:A Novel Beta-Xylosidase Structure from Geobacillus Thermoglucosidasius: The First Crystal Structure of a Glycoside Hydrolase Family Gh52 Enzyme Reveals Unpredicted Similarity to Other Glycoside Hydrolase Folds
Acta Crystallogr.,Sect.D, 70, 2014
1SPB
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BU of 1spb by Molmil
SUBTILISIN BPN' PROSEGMENT (77 RESIDUES) COMPLEXED WITH A MUTANT SUBTILISIN BPN' (266 RESIDUES). CRYSTAL PH 4.6. CRYSTALLIZATION TEMPERATURE 20 C DIFFRACTION TEMPERATURE-160 C
Descriptor: SODIUM ION, SUBTILISIN BPN', SUBTILISIN BPN' PROSEGMENT
Authors:Gallagher, D.T, Gilliland, G.L, Wang, L, Bryan, P.N.
Deposit date:1995-06-21
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The prosegment-subtilisin BPN' complex: crystal structure of a specific 'foldase'.
Structure, 3, 1995
1VMF
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BU of 1vmf by Molmil
CRYSTAL STRUCTURE OF a YBJQ-LIKE FOLD PROTEIN OF UNKNOWN FUNCTION (BH3498) FROM BACILLUS HALODURANS AT 1.46 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2004-09-23
Release date:2004-10-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structure of hypothetical protein (10176122) from Bacillus halodurans at 1.46 A resolution
To be published
3QEM
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BU of 3qem by Molmil
Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2B in complex with Ro 25-6981
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, Glutamate [NMDA] receptor subunit epsilon-2, ...
Authors:Karakas, E, Simorowski, N, Furukawa, H.
Deposit date:2011-01-20
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Subunit arrangement and phenylethanolamine binding in GluN1/GluN2B NMDA receptors.
Nature, 475, 2011
2E66
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BU of 2e66 by Molmil
Crystal Structure Of CutA1 From Pyrococcus Horikoshii OT3, Mutation D60A
Descriptor: CHLORIDE ION, Divalent-cation tolerance protein cutA, SODIUM ION
Authors:Bagautdinov, B, Sawano, M, Bagautdinova, S, Yutani, K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-12-25
Release date:2007-06-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the hyper-thermostability of CutA1
To be Published
3QLP
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BU of 3qlp by Molmil
X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ...
Authors:Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F.
Deposit date:2011-02-03
Release date:2011-10-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Thrombin-aptamer recognition: a revealed ambiguity.
Nucleic Acids Res., 39, 2011
2EKA
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BU of 2eka by Molmil
Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L202M)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, diphthine synthase
Authors:Asada, Y, Matsuura, Y, Kageyama, Y, Nakamoto, T, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-22
Release date:2007-09-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural study of Project ID PH0725 from Pyrococcus horikoshii OT3 (L202M)
To be Published
3QTV
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BU of 3qtv by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-02-23
Release date:2012-02-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3QWC
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BU of 3qwc by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-02-28
Release date:2012-03-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012

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