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1KKG
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BU of 1kkg by Molmil
NMR Structure of Ribosome-Binding Factor A (RbfA)
Descriptor: ribosome-binding factor A
Authors:Huang, Y.J, Swapna, G.V.T, Rajan, P.K, Ke, H, Xia, B, Shukla, K, Inouye, M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-12-07
Release date:2003-03-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR Structure of Ribosome-binding Factor A (RbfA), A Cold-shock Adaptation Protein from Escherichia coli
J.Mol.Biol., 327, 2003
6HC9
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BU of 6hc9 by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM02 AT 2.4 A RESOLUTION.
Descriptor: 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S.
Deposit date:2018-08-14
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
6HMW
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Cholera toxin classical B-pentamer in complex with fucose
Descriptor: BICINE, CALCIUM ION, Cholera enterotoxin B-subunit, ...
Authors:Krengel, U, Heim, J.B.
Deposit date:2018-09-13
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site.
Sci Rep, 9, 2019
6HCB
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BU of 6hcb by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.9 A RESOLUTION.
Descriptor: 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Laulumaa, S, Masternak, M, Frydenvang, K, Kastrup, J.S.
Deposit date:2018-08-14
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
6HAQ
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BU of 6haq by Molmil
AFGH61B WILD-TYPE COPPER LOADED
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ...
Authors:Lo Leggio, L, Poulsen, J.C.N, Weihe, C.D.
Deposit date:2018-08-08
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant.
Carbohydr. Res., 469, 2018
6HCA
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BU of 6hca by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S1J) IN COMPLEX WITH POSITIVE ALLOSTERIC MODULATOR TDPAM02 AT 1.8 A RESOLUTION
Descriptor: 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S.
Deposit date:2018-08-14
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
6HCH
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BU of 6hch by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504Y-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.6 A RESOLUTION.
Descriptor: 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, CHLORIDE ION, ...
Authors:Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S.
Deposit date:2018-08-15
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
6HMY
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BU of 6hmy by Molmil
Cholera toxin classical B-pentamer in complex with fucosyl-GM1
Descriptor: BICINE, CALCIUM ION, Cholera enterotoxin B-subunit, ...
Authors:Krengel, U, Heim, J.B.
Deposit date:2018-09-13
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site.
Sci Rep, 9, 2019
6HZN
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BU of 6hzn by Molmil
Crystal structure of human dermatan sulfate epimerase 1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hasan, M, Unge, J, Westergren-Thorsson, G, Ellervik, U, Mueller, U, Malmstrom, A, Tykesson, E.
Deposit date:2018-10-23
Release date:2020-01-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The structure of human dermatan sulfate epimerase 1 emphasizes the importance of C5-epimerization of glucuronic acid in higher organisms
Chem Sci, 2020
6HA5
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BU of 6ha5 by Molmil
AFGH61B L90V/D131S/M134L/A141W VARIANT
Descriptor: ACETATE ION, COPPER (II) ION, Endoglucanase, ...
Authors:Lo Leggio, L, Poulsen, J.C.N.
Deposit date:2018-08-07
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant.
Carbohydr. Res., 469, 2018
6HYG
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BU of 6hyg by Molmil
Heteromeric tandem IgG4/IgG1 Fc
Descriptor: IgHG1 and IgHG4 hybrid, ZINC ION
Authors:Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G.
Deposit date:2018-10-21
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM.
Proc.Natl.Acad.Sci.USA, 116, 2019
6I93
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BU of 6i93 by Molmil
R2-like ligand-binding oxidase G68L mutant with aerobically reconstituted Fe/Fe cofactor
Descriptor: FE (III) ION, OCTANOIC ACID (CAPRYLIC ACID), Ribonucleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2018-11-22
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Chemical flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins.
J.Biol.Chem., 294, 2019
6IAO
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BU of 6iao by Molmil
Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ...
Authors:Mirza, O, Rafiq, M, Frydenvang, K.
Deposit date:2018-11-27
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol.
Plos One, 14, 2019
6I74
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BU of 6i74 by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2018-11-15
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.959 Å)
Cite:Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects.
Org. Biomol. Chem., 17, 2019
6I6S
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BU of 6i6s by Molmil
Circular permutant of ribosomal protein S6, adding 9aa to C terminal of P68-69, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6,30S ribosomal protein S6, POTASSIUM ION, SODIUM ION
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
8HLK
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BU of 8hlk by Molmil
Structure of McyB-C1A1 complexed with L-Leu and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, LEUCINE, Microcystin synthetase B (Fragment)
Authors:Peng, Y.J.
Deposit date:2022-11-30
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of McyB-C1A1 complexed with L-Leu and AMP
To Be Published
2P2A
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BU of 2p2a by Molmil
X-ray structure of the GluR2 ligand binding core (S1S2J) in complex with 2-Bn-tet-AMPA at 2.26A resolution
Descriptor: 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Frydenvang, K, Kastrup, J.S, Gajhede, M.
Deposit date:2007-03-07
Release date:2007-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
2PSS
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BU of 2pss by Molmil
The structure of Plasmodium falciparum spermidine synthase in its apo-form
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, SULFATE ION, ...
Authors:Dufe, V.T, Qiu, W, Muller, I.B, Hui, R, Walter, R.D, Al-Karadaghi, S, Structural Genomics Consortium (SGC)
Deposit date:2007-05-07
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO.
J.Mol.Biol., 373, 2007
1QPH
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BU of 1qph by Molmil
CRYSTAL STRUCTURE OF THE A-DNA DODECAMER GACCACGTGGTC
Descriptor: 5'-D(P*GP*AP*CP*CP*AP*CP*GP*TP*GP*GP*TP*CP)-3'
Authors:Raaijmakers, H, Suck, D, Mayer, C.
Deposit date:1999-05-25
Release date:1999-05-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure Analysis of the A-DNA Dodecamer GACCACGTGGTC
To be Published
2PT6
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BU of 2pt6 by Molmil
The structure of Plasmodium falciparum spermidine synthase in complex with decarboxylated S-adenosylmethionine
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, GLYCEROL, ...
Authors:Dufe, V.T, Qiu, W, Muller, I.B, Hui, R, Walter, R.D, Al-Karadaghi, S, Structural Genomics Consortium (SGC)
Deposit date:2007-05-08
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO.
J.Mol.Biol., 373, 2007
2Q3D
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BU of 2q3d by Molmil
2.2 A Resolution Crystal Structure of O-Acetylserine Sulfhydrylase (OASS) From MYCOBACTERIUM TUBERCULOSIS in Complex with the Reaction Intermediate ALPHA-AMINOACRYLATE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, Cysteine synthase A
Authors:Schneider, G, Schnell, R.
Deposit date:2007-05-30
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into Catalysis and Inhibition of O-Acetylserine Sulfhydrylase from Mycobacterium tuberculosis: CRYSTAL STRUCTURES OF THE ENZYME {alpha}-AMINOACRYLATE INTERMEDIATE AND AN ENZYME-INHIBITOR COMPLEX.
J.Biol.Chem., 282, 2007
2PL3
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BU of 2pl3 by Molmil
Human DEAD-box RNA helicase DDX10, DEAD domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ETHANOL, MAGNESIUM ION, ...
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-04-19
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
2PT9
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BU of 2pt9 by Molmil
The structure of Plasmodium falciparum spermidine synthase in complex with decarboxylated S-adenosylmethionine and the inhibitor cis-4-methylcyclohexylamine (4MCHA)
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, GLYCEROL, ...
Authors:Dufe, V.T, Qiu, W, Muller, I.B, Hui, R, Walter, R.D, Al-Karadaghi, S, Structural Genomics Consortium (SGC)
Deposit date:2007-05-08
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO.
J.Mol.Biol., 373, 2007
2PRM
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BU of 2prm by Molmil
The structures of apo- and inhibitor bound human dihydroorotate dehydrogenase reveal conformational flexibility within the inhibitor binding site
Descriptor: Dihydroorotate dehydrogenase, mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Walse, B, Dufe, V.T, Al-Karadaghi, S.
Deposit date:2007-05-04
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structures of human dihydroorotate dehydrogenase with and without inhibitor reveal conformational flexibility in the inhibitor and substrate binding sites
Biochemistry, 47, 2008
2Q2O
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BU of 2q2o by Molmil
Crystal structure of H183C Bacillus subtilis ferrochelatase in complex with deuteroporphyrin IX 2,4-disulfonic acid dihydrochloride
Descriptor: Ferrochelatase, MAGNESIUM ION, PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
Authors:Karlberg, T, Thorvaldsen, O.H, Al-Karadaghi, S.
Deposit date:2007-05-29
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Porphyrin binding and distortion and substrate specificity in the ferrochelatase reaction: the role of active site residues
J.Mol.Biol., 378, 2008

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