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4G9M
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BU of 4g9m by Molmil
Crystal structure of the Rhizoctonia solani agglutinin
Descriptor: agglutinin
Authors:Skamnaki, V.T, Kantsadi, A.L, Leonidas, D.D.
Deposit date:2012-07-24
Release date:2013-06-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural analysis of the Rhizoctonia solani agglutinin reveals a domain-swapping dimeric assembly.
Febs J., 280, 2013
1FY3
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BU of 1fy3 by Molmil
[G175Q]HBP, A mutant of human heparin binding protein (CAP37)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E.
Deposit date:2000-09-28
Release date:2001-09-28
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding.
Proteins, 42, 2001
6FAZ
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BU of 6faz by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 A resolution.
Descriptor: 1,2-ETHANEDIOL, 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, ...
Authors:Nielsen, L, Laulumaa, S, Kastrup, J.S.
Deposit date:2017-12-18
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhancing Action of Positive Allosteric Modulators through the Design of Dimeric Compounds.
J. Med. Chem., 61, 2018
1G1O
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BU of 1g1o by Molmil
CRYSTAL STRUCTURE OF THE HIGHLY AMYLOIDOGENIC TRANSTHYRETIN MUTANT TTR G53S/E54D/L55S
Descriptor: TRANSTHYRETIN
Authors:Eneqvist, T, Andersson, K, Olofsson, A, Lundgren, E, Sauer-Eriksson, A.E.
Deposit date:2000-10-13
Release date:2001-10-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The beta-slip: a novel concept in transthyretin amyloidosis.
Mol.Cell, 6, 2000
6F29
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BU of 6f29 by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A
Descriptor: (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2017-11-23
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018
6EZE
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BU of 6eze by Molmil
The open conformation of E.coli Elongation Factor Tu in complex with GDPNP.
Descriptor: DI(HYDROXYETHYL)ETHER, Elongation factor Tu 2, GLYCEROL, ...
Authors:Johansen, J.S, Blaise, M, Thirup, S.S.
Deposit date:2017-11-15
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:E. coli elongation factor Tu bound to a GTP analogue displays an open conformation equivalent to the GDP-bound form.
Nucleic Acids Res., 46, 2018
1G35
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BU of 1g35 by Molmil
CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024
Descriptor: 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL, HIV-1 PROTEASE
Authors:Lindberg, J, Unge, T.
Deposit date:2000-10-23
Release date:2001-06-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
J.Med.Chem., 44, 2001
6F2P
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BU of 6f2p by Molmil
Structure of Paenibacillus xanthan lyase to 2.6 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Lo Leggio, L, Kadziola, A.
Deposit date:2017-11-27
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Dynamics of a Promiscuous Xanthan Lyase from Paenibacillus nanensis and the Design of Variants with Increased Stability and Activity.
Cell Chem Biol, 26, 2019
1FW4
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BU of 1fw4 by Molmil
CRYSTAL STRUCTURE OF E. COLI FRAGMENT TR2C FROM CALMODULIN TO 1.7 A RESOLUTION
Descriptor: CALCIUM ION, CALMODULIN
Authors:Olsson, L.-L, Sjolin, L.
Deposit date:2000-09-21
Release date:2001-05-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Escherichia coli fragment TR2C from calmodulin to 1.7 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
6F6Y
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BU of 6f6y by Molmil
Crystal structure of galectin-3 CRD in complex with galactopentaose
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose
Authors:Hakansson, M, Andersen, M.C.F, Clausen, M.H, Logan, D.T.
Deposit date:2017-12-06
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Beta-(1-4)-d-galactans: synthesis and binding interactions with galectin-3
To Be Published
6EYM
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BU of 6eym by Molmil
Neutron crystal structure of perdeuterated galectin-3C in complex with lactose
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T.
Deposit date:2017-11-13
Release date:2018-09-12
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
6F28
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BU of 6f28 by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A
Descriptor: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2017-11-23
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018
1GFY
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BU of 1gfy by Molmil
RESIDUE 259 IS A KEY DETERMINANT OF SUBSTRATE SPECIFICITY OF PROTEIN-TYROSINE PHOSPHATASE 1B AND ALPHA
Descriptor: 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Iversen, L.F.
Deposit date:2000-06-26
Release date:2000-07-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Residue 259 is a key determinant of substrate specificity of protein-tyrosine phosphatases 1B and alpha.
J.Biol.Chem., 275, 2000
4GQ7
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BU of 4gq7 by Molmil
Crystal structure of Lg-Flo1p
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Flocculin
Authors:Sim, L, Groes, M, Olesen, K, Henriksen, A.
Deposit date:2012-08-22
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural and biochemical characterization of the N-terminal domain of flocculin Lg-Flo1p from Saccharomyces pastorianus reveals a unique specificity for phosphorylated mannose.
Febs J., 280, 2013
6FJJ
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BU of 6fjj by Molmil
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin).
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
Cite:Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
1GKA
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BU of 1gka by Molmil
The molecular basis of the coloration mechanism in lobster shell. beta-crustacyanin at 3.2 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASTAXANTHIN, ...
Authors:Cianci, M, Rizkallah, P.J, Olczak, A, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R.
Deposit date:2001-08-10
Release date:2002-08-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:The Molecular Basis of the Coloration Mechanism in Lobster Shell: Beta -Crustacyanin at 3.2-A Resolution
Proc.Natl.Acad.Sci.USA, 99, 2002
6FJI
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BU of 6fji by Molmil
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (apo).
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
1GW2
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BU of 1gw2 by Molmil
RECOMBINANT HORSERADISH PEROXIDASE C1A THR171SER IN COMPLEX WITH FERULIC ACID
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, PEROXIDASE C1A, ...
Authors:Henriksen, A, Meno, K, Brissett, N, Gajhede, M.
Deposit date:2002-03-03
Release date:2003-03-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Hrpc Heme Crevice Architecture
To be Published
1GQ8
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BU of 1gq8 by Molmil
Pectin methylesterase from Carrot
Descriptor: CACODYLATE ION, PECTINESTERASE
Authors:Johansson, K, El-Ahmad, M, Friemann, R, Jornvall, H, Markovic, O, Eklund, H.
Deposit date:2001-11-20
Release date:2002-04-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Plant Pectin Methylesterase
FEBS Lett., 514, 2002
1H7B
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BU of 1h7b by Molmil
Structural basis for allosteric substrate specificity regulation in class III ribonucleotide reductases, native NRDD
Descriptor: ANAEROBIC RIBONUCLEOTIDE-TRIPHOSPHATE REDUCTASE LARGE CHAIN, PHOSPHATE ION
Authors:Larsson, K.-M, Andersson, J, Sjoeberg, B.-M, Nordlund, P, Logan, D.T.
Deposit date:2001-07-04
Release date:2002-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Basis for Allosteric Substrate Specificty Regulation in Anaerobic Ribonucleotide Reductase
Structure, 9, 2001
1H6R
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BU of 1h6r by Molmil
The oxidized state of a redox sensitive variant of green fluorescent protein
Descriptor: CHLORIDE ION, GREEN FLUORESCENT PROTEIN
Authors:Ostergaard, H, Henriksen, A, Hansen, F.G, Winther, J.R.
Deposit date:2001-06-22
Release date:2001-11-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Shedding Light on Disulfide Bond Formation: Engineering a Redox Switch in Green Fluorescent Protein
Embo J., 20, 2001
1H7X
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BU of 1h7x by Molmil
Dihydropyrimidine dehydrogenase (DPD) from pig, ternary complex of a mutant enzyme (C671A), NADPH and 5-fluorouracil
Descriptor: 5-FLUOROURACIL, DIHYDROPYRIMIDINE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ...
Authors:Dobritzsch, D, Schneider, G, Schnackerz, K.D, Lindqvist, Y.
Deposit date:2001-01-19
Release date:2001-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of Dihydropyrimidine Dehydrogenase, a Major Determinant of the Pharmacokinetics of the Anti-Cancer Drug 5-Fluorouracil
Embo J., 20, 2001
6GCE
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BU of 6gce by Molmil
DNA binding domain of restriction endonuclease McrBC in complex with 5-formylcytosine DNA
Descriptor: 5-methylcytosine-specific restriction enzyme B, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*(5FC)P*CP*GP*GP*TP*CP*TP*C)-3')
Authors:Sasnauskas, G.
Deposit date:2018-04-17
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of modified cytosine variants by the DNA-binding domain of methyl-directed endonuclease McrBC.
FEBS Lett., 592, 2018
1GW6
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BU of 1gw6 by Molmil
STRUCTURE OF LEUKOTRIENE A4 HYDROLASE D375N MUTANT
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, ACETATE ION, IMIDAZOLE, ...
Authors:Rudberg, P.C, Tholander, F, Thunnissen, M.M.G.M, Samuelsson, B, Haeggstrom, J.Z.
Deposit date:2002-03-07
Release date:2003-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Leukotriene A4 Hydrolase: Selective Abrogation of Leukotriene B4 Formation by Mutation of Aspartic Acid 375
Proc.Natl.Acad.Sci.USA, 99, 2002
1GZ9
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BU of 1gz9 by Molmil
High-Resolution Crystal Structure of Erythrina cristagalli Lectin in Complex with 2'-alpha-L-Fucosyllactose
Descriptor: CALCIUM ION, ERYTHRINA CRISTA-GALLI LECTIN, MANGANESE (II) ION, ...
Authors:Svensson, C, Teneberg, S, Nilsson, C.L, Kjellberg, A, Schwarz, F.P, Sharon, N, Krengel, U.
Deposit date:2002-05-17
Release date:2002-06-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-Resolution Crystal Structures of Erythrina Cristagalli Lectin in Complex with Lactose and 2'-Alpha-L-Fucosyllactose and Correlation with Thermodynamic Binding Data
J.Mol.Biol., 321, 2002

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