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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
8UX7
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BU of 8ux7 by Molmil
Dioclea megacarpa lectin (DmegA) complexed with X-Man
Descriptor: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Dioclea megacarpa lectin, ...
Authors:Oliveira, M.V, De Sloover, G, Osterne, V.J.S, Pinto-Junior, V.R, Sacramento-Neto, J.C, Van Damme, E.J.M, Nascimento, K.S, Cavada, B.S.
Deposit date:2023-11-09
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dioclea megacarpa lectin (DmegA) complexed with X-Man
To Be Published
2EID
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BU of 2eid by Molmil
Galactose Oxidase W290G mutant
Descriptor: COPPER (II) ION, Galactose oxidase, SODIUM ION
Authors:Phillips, S.E, McPherson, M.J, Knowles, P.F, Akyumani, N, Firbank, S.J, Tamber, S.
Deposit date:2007-03-12
Release date:2007-04-24
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007
4M83
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BU of 4m83 by Molmil
Ensemble refinement of protein crystal structure (2IYF) of macrolide glycosyltransferases OleD complexed with UDP and Erythromycin A
Descriptor: ERYTHROMYCIN A, MAGNESIUM ION, Oleandomycin glycosyltransferase, ...
Authors:Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2013-08-12
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Crystal structure of macrolide glycosyltransferases OleD
To be Published
1G7I
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BU of 1g7i by Molmil
CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3 (VLW92F)
Descriptor: ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C, PHOSPHATE ION
Authors:Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A.
Deposit date:2000-11-10
Release date:2000-11-22
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface.
Biochemistry, 39, 2000
6HN2
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BU of 6hn2 by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5
Descriptor: 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ...
Authors:Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
Deposit date:2018-09-13
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
5MRK
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BU of 5mrk by Molmil
Structural basis of Zika virus methyltransferase inhibition by sinefungin
Descriptor: CHLORIDE ION, SINEFUNGIN, methyltransferase
Authors:Hercik, K, Boura, E.
Deposit date:2016-12-23
Release date:2017-01-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of Zika virus methyltransferase inhibition by sinefungin.
Arch. Virol., 162, 2017
5MXK
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BU of 5mxk by Molmil
Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9.
Descriptor: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide
Authors:Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L.
Deposit date:2017-01-23
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.
Angew. Chem. Int. Ed. Engl., 56, 2017
5K5X
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BU of 5k5x by Molmil
Crystal structure of human PDGFRA
Descriptor: Platelet-derived growth factor receptor alpha, SULFATE ION
Authors:Yan, X.E, Liang, L, Yun, C.H.
Deposit date:2016-05-24
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.168 Å)
Cite:Structural and biochemical studies of the PDGFRA kinase domain
Biochem.Biophys.Res.Commun., 477, 2016
6HCX
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BU of 6hcx by Molmil
Influenza Virus N9 Neuraminidase A complex with Zanamivir molecule (Tern).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F.
Deposit date:2018-08-16
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
6HRL
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BU of 6hrl by Molmil
Crystal structure of the Kelch domain of human KLHL17
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 17, ...
Authors:Chen, Z, Williams, E, Sorrell, F.J, Newman, J.A, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, F, Edwards, C.H, Bountra, C, Bullock, A.N.
Deposit date:2018-09-27
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the Kelch domain of human KLHL17
To Be Published
7UCC
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BU of 7ucc by Molmil
Transcription factor FosB/JunD bZIP domain in the reduced form
Descriptor: CHLORIDE ION, ETHANOL, Protein fosB, ...
Authors:Kumar, A, Machius, M.C, Rudenko, G.
Deposit date:2022-03-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
2E4O
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BU of 2e4o by Molmil
X-ray Crystal Structure of Aristolochene Synthase from Aspergillus terreus and the Evolution of Templates for the Cyclization of Farnesyl Diphosphate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aristolochene synthase, BETA-MERCAPTOETHANOL, ...
Authors:Shishova, E.Y, Di Costanzo, L, Cane, D.E, Christianson, D.W.
Deposit date:2006-12-15
Release date:2007-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystal structure of aristolochene synthase from Aspergillus terreus and evolution of templates for the cyclization of farnesyl diphosphate.
Biochemistry, 46, 2007
5MTE
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BU of 5mte by Molmil
Crystal structure of PDF from the Vibrio parahaemolyticus bacteriophage VP16T in complex with actinonin - crystal form II
Descriptor: ACTINONIN, NICKEL (II) ION, Putative uncharacterized protein orf60T, ...
Authors:Fieulaine, S, Grzela, R, Giglione, C, Meinnel, T.
Deposit date:2017-01-09
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Peptide deformylases from Vibrio parahaemolyticus phage and bacteria display similar deformylase activity and inhibitor binding clefts.
Biochim. Biophys. Acta, 1866, 2018
6HDU
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BU of 6hdu by Molmil
Crystal structure of human Rab38 in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-38
Authors:McGrath, E, Waschbusch, D, Khan, A.R.
Deposit date:2018-08-19
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:LRRK2 binds to the Rab32 subfamily in a GTP-dependent mannerviaits armadillo domain.
Small GTPases, 2019
1KXG
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BU of 1kxg by Molmil
The 2.0 Ang Resolution Structure of BLyS, B Lymphocyte Stimulator.
Descriptor: 1,4-DIETHYLENE DIOXIDE, B lymphocyte stimulator, CITRIC ACID, ...
Authors:Oren, D.A, Li, Y, Volovik, Y, Morris, T.S, Dharia, C, Das, K, Galperina, O, Gentz, R, Arnold, E.
Deposit date:2002-01-31
Release date:2002-03-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of BLyS receptor recognition.
Nat.Struct.Biol., 9, 2002
2J0U
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BU of 2j0u by Molmil
The crystal structure of eIF4AIII-Barentsz complex at 3.0 A resolution
Descriptor: ATP-DEPENDENT RNA HELICASE DDX48, PROTEIN CASC3
Authors:Bono, F, Ebert, J, Lorentzen, E, Conti, E.
Deposit date:2006-08-04
Release date:2006-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of the Exon Junction Complex Reveals How It Mantains a Stable Grip on Mrna
Cell(Cambridge,Mass.), 126, 2006
6HEF
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BU of 6hef by Molmil
Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P.
Deposit date:2018-08-20
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.538 Å)
Cite:Membrane-protein crystals for neutron diffraction.
Acta Crystallogr D Struct Biol, 74, 2018
8V8Y
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BU of 8v8y by Molmil
Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (Orthorhombic P form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-12-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (Orthorhombic P form)
To be published
1UVM
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BU of 1uvm by Molmil
The structural basis for RNA specificity and Ca2 inhibition of an RNA-dependent RNA polymerase phi6p2 with 5NT RNA conformation A
Descriptor: 5'-R(*UP*UP*UP*CP*CP)-3', MANGANESE (II) ION, RNA-directed RNA polymerase
Authors:Salgado, P.S, Makeyev, E.V, Butcher, S, Bamford, D, Stuart, D.I, Grimes, J.M.
Deposit date:2004-01-21
Release date:2004-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis for RNA specificity and Ca2+ inhibition of an RNA-dependent RNA polymerase.
Structure, 12, 2004
7UCD
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BU of 7ucd by Molmil
Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480
Descriptor: 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ...
Authors:Kumar, A, Machius, M.C, Rudenko, G.
Deposit date:2022-03-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
4Y8M
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BU of 4y8m by Molmil
Yeast 20S proteasome beta7-delta7_Cter mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-16
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
4J4T
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BU of 4j4t by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
8V8W
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BU of 8v8w by Molmil
Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (Tetragonal P form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, OXAMIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-12-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (Tetragonal P form)
To be published
5MWU
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BU of 5mwu by Molmil
Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)(CO)2Cl
Descriptor: ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Cavazza, C, Lopez, S, Rondot, L, Iannello, M, Boeri-Erba, E, Burzlaff, N, Strinitz, F, Jorge-Robin, A, Marchi-Delapierre, C, Menage, S.
Deposit date:2017-01-20
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme
To Be Published

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