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5HFO
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BU of 5hfo by Molmil
CRYSTAL STRUCTURE OF OXA-232 BETA-LACTAMASE
Descriptor: Beta-lactamase, CHLORIDE ION, GLYCEROL, ...
Authors:Retailleau, P, Oueslati, S, Cisse, C, Nordmann, P, Naas, T, Iorga, B.
Deposit date:2016-01-07
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Role of Arginine 214 in the Substrate Specificity of OXA-48.
Antimicrob.Agents Chemother., 64, 2020
5C3B
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BU of 5c3b by Molmil
Crystal structure of ABBA + UDP-C-Gal (long soak) + DI
Descriptor: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
5C47
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BU of 5c47 by Molmil
Crystal structure of ABBB + UDP-C-Gal (long soak) + DI
Descriptor: (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-17
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
6KGI
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BU of 6kgi by Molmil
RLGS-yUbr1 Ubr box
Descriptor: E3 ubiquitin-protein ligase UBR1, ZINC ION
Authors:Heo, J, Kwon, D.H, Kim, L, Song, H.K.
Deposit date:2019-07-11
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Use of the LC3B-fusion technique for biochemical and structural studies of proteins involved in the N-degron pathway.
J.Biol.Chem., 295, 2020
1BZD
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BU of 1bzd by Molmil
TERTIARY STRUCTURES OF THREE AMYLOIDOGENIC TRANSTHYRETIN VARIANTS AND IMPLICATIONS FOR AMYLOID FIBRIL FORMATION
Descriptor: PROTEIN (TRANSTHYRETIN)
Authors:Schormann, N, Murrell, J.R, Benson, M.D.
Deposit date:1998-10-28
Release date:1998-11-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tertiary structures of amyloidogenic and non-amyloidogenic transthyretin variants: new model for amyloid fibril formation.
Amyloid, 5, 1998
1IWV
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BU of 1iwv by Molmil
Crystal Structure Analysis of Human lysozyme at 147K.
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Joti, Y, Nakasako, M, Kidera, A, Go, N.
Deposit date:2002-06-03
Release date:2002-09-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors.
Acta Crystallogr.,Sect.D, 58, 2002
4GY5
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BU of 4gy5 by Molmil
Crystal structure of the tandem tudor domain and plant homeodomain of UHRF1 with Histone H3K9me3
Descriptor: E3 ubiquitin-protein ligase UHRF1, Peptide from Histone H3.3, ZINC ION
Authors:Cheng, J, Yang, Y, Fang, J, Xiao, J, Zhu, T, Chen, F, Wang, P, Xu, Y.
Deposit date:2012-09-05
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Structural insight into coordinated recognition of trimethylated histone H3 lysine 9 (H3K9me3) by the plant homeodomain (PHD) and tandem tudor domain (TTD) of UHRF1 (ubiquitin-like, containing PHD and RING finger domains, 1) protein
J.Biol.Chem., 288, 2013
1IJI
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BU of 1iji by Molmil
Crystal Structure of L-Histidinol Phosphate Aminotransferase with PLP
Descriptor: Histidinol Phosphate Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Sivaraman, J, Li, Y, Larocque, R, Schrag, J.D, Cygler, M, Matte, A.
Deposit date:2001-04-26
Release date:2001-08-29
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of histidinol phosphate aminotransferase (HisC) from Escherichia coli, and its covalent complex with pyridoxal-5'-phosphate and l-histidinol phosphate.
J.Mol.Biol., 311, 2001
1IKA
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BU of 1ika by Molmil
STRUCTURE OF ISOCITRATE DEHYDROGENASE WITH ALPHA-KETOGLUTARATE AT 2.7 ANGSTROMS RESOLUTION: CONFORMATIONAL CHANGES INDUCED BY DECARBOXYLATION OF ISOCITRATE
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, ISOCITRATE DEHYDROGENASE
Authors:Stoddard, B.L, Koshland Junior, D.E.
Deposit date:1993-06-15
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of isocitrate dehydrogenase with alpha-ketoglutarate at 2.7-A resolution: conformational changes induced by decarboxylation of isocitrate.
Biochemistry, 32, 1993
1MX1
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BU of 1mx1 by Molmil
Crystal Structure of Human Liver Carboxylesterase in complex with tacrine
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, ...
Authors:Bencharit, S, Morton, C.L, Hyatt, J.L, Kuhn, P, Danks, M.K, Potter, P.M, Redinbo, M.R.
Deposit date:2002-10-01
Release date:2003-04-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Carboxylesterase 1 Complexed with the Alzheimer's Drug Tacrine: From Binding Promiscuity to Selective Inhibition
CHEM.BIOL., 10, 2003
1IWW
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BU of 1iww by Molmil
Crystal Structure Analysis of Human lysozyme at 152K.
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Joti, Y, Nakasako, M, Kidera, A, Go, N.
Deposit date:2002-06-03
Release date:2002-09-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Nonlinear temperature dependence of the crystal structure of lysozyme: correlation between coordinate shifts and thermal factors.
Acta Crystallogr.,Sect.D, 58, 2002
6GHH
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BU of 6ghh by Molmil
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Descriptor: Beta-lactoglobulin, N-TRIDECANOIC ACID
Authors:Kontopidis, G, Rovoli, M.
Deposit date:2018-05-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
1F3Z
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BU of 1f3z by Molmil
IIAGLC-ZN COMPLEX
Descriptor: GLUCOSE-SPECIFIC PHOSPHOCARRIER, ZINC ION
Authors:Feese, M, Comolli, L, Meadow, N, Roseman, S, Remington, S.J.
Deposit date:1997-10-09
Release date:1998-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural studies of the Escherichia coli signal transducing protein IIAGlc: implications for target recognition.
Biochemistry, 36, 1997
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
Descriptor: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
Authors:Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
Deposit date:2011-04-01
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
6GIR
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BU of 6gir by Molmil
Arabidopsis thaliana cytosolic seryl-tRNA synthetase
Descriptor: Serine--tRNA ligase, cytoplasmic
Authors:Kekez, I, Kekez, M, Rokov-Plavec, J, Matkovic-Calogovic, D.
Deposit date:2018-05-15
Release date:2019-01-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Arabidopsis seryl-tRNA synthetase: the first crystal structure and novel protein interactor of plant aminoacyl-tRNA synthetase.
FEBS J., 286, 2019
5REQ
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BU of 5req by Molmil
Methylmalonyl-COA MUTASE, Y89F Mutant, substrate complex
Descriptor: COBALAMIN, GLYCEROL, METHYLMALONYL(CARBADETHIA)-COENZYME A, ...
Authors:Evans, P.R, Thomae, N.H.
Deposit date:1998-08-03
Release date:1998-08-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Stabilization of radical intermediates by an active-site tyrosine residue in methylmalonyl-CoA mutase.
Biochemistry, 37, 1998
4YGK
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BU of 4ygk by Molmil
NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein
Descriptor: Carbonic anhydrase 2, HYDROXIDE ION, THIOCYANATE ION, ...
Authors:Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M.
Deposit date:2015-02-26
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
4ZX9
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BU of 4zx9 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
2H9G
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BU of 2h9g by Molmil
Crystal structure of phage derived Fab BdF1 with human Death Receptor 5 (DR5)
Descriptor: Fab BdF1, heavy chain, light chain, ...
Authors:Hymowitz, S.G, Compaan, D.M.
Deposit date:2006-06-09
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Activation of the Proapoptotic Death Receptor DR5 by Oligomeric Peptide and Antibody Agonists.
J.Mol.Biol., 361, 2006
1TVV
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BU of 1tvv by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
6GFS
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BU of 6gfs by Molmil
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Descriptor: Beta-lactoglobulin, CHLORIDE ION, PENTADECANOIC ACID
Authors:Kontopidis, G, Rovoli, M.
Deposit date:2018-05-02
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
6LY6
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BU of 6ly6 by Molmil
PylRS C-terminus domain mutant bound with 3-(1-Naphthyl)-L-alanine and AMPNP
Descriptor: MAGNESIUM ION, NAPHTHALEN-2-YL-3-ALANINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2020-02-13
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5001328 Å)
Cite:Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Biochemistry, 59, 2020
3UBW
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BU of 3ubw by Molmil
Complex of 14-3-3 isoform epsilon, a Mlf1 phosphopeptide and a small fragment hit from a FBDD screen
Descriptor: (3S)-pyrrolidin-3-ol, 14-3-3 protein epsilon, Myeloid leukemia factor 1, ...
Authors:Molzan, M, Weyand, M, Rose, R, Ottmann, C.
Deposit date:2011-10-25
Release date:2012-01-25
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights of the MLF1/14-3-3 interaction.
Febs J., 279, 2012
5ABZ
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BU of 5abz by Molmil
Complex of the FimH lectin with a C-linked naphtyl alpha-D-mannoside in soaked trigonal crystals at 2.40 A resolution
Descriptor: (2R,3S,4R,5S,6R)-2-(HYDROXYMETHYL)-6-[3-(NAPHTHALEN-1-YL)PROPYL]OXANE-3,4,5-TRIOL, FIMH, NICKEL (II) ION
Authors:de Ruyck, J, Bouckaert, J.
Deposit date:2015-08-10
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of C-Mannosylated Anti-Adhesives Bound to the Type 1 Fimbrial Fimh Adhesin
Iucrj, 3, 2016
5DRQ
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BU of 5drq by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex
Descriptor: N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016

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