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7PBA
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BU of 7pba by Molmil
Crystal structure of CD73 in complex with IMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PA4
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BU of 7pa4 by Molmil
Crystal structure of CD73 in complex with CMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, CHLORIDE ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-28
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBB
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BU of 7pbb by Molmil
Crystal structure of CD73 in complex with caffeine in the open form
Descriptor: 5'-nucleotidase, CAFFEINE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-01
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9N
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BU of 7p9n by Molmil
Crystal structure of CD73 in complex with AMP in the open form
Descriptor: 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7P9R
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BU of 7p9r by Molmil
Crystal structure of CD73 in complex with GMP in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, GLYCEROL, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-07-27
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PCP
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BU of 7pcp by Molmil
Crystal structure of CD73 in complex with 5-iodouracil in the open form
Descriptor: 5'-nucleotidase, 5-IODOURACIL, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
7PBY
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BU of 7pby by Molmil
Crystal structure of CD73 in complex with 4-nitrocatechol in the open form
Descriptor: 4-NITROCATECHOL, 5'-nucleotidase, CALCIUM ION, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-02
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
4WXH
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BU of 4wxh by Molmil
Carminomycin-4-O-methyltransferase (DnrK) variant (298Ser insert) in complex with S-adenosyl-L-homocysteine (SAH) and aclacinomycin T
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Metsa-Ketela, M, Niiranen, L.
Deposit date:2014-11-13
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Divergent evolution of an atypical S-adenosyl-l-methionine-dependent monooxygenase involved in anthracycline biosynthesis.
Proc.Natl.Acad.Sci.USA, 112, 2015
2O5D
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BU of 2o5d by Molmil
Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study
Descriptor: (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)-2-(4-FLUOROPHENYL)-N-[(4-NITROPHENYL)SULFONYL]ACETAMIDE, HCV
Authors:Yao, N.
Deposit date:2006-12-05
Release date:2007-02-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study.
Bioorg.Med.Chem.Lett., 17, 2007
1A0L
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BU of 1a0l by Molmil
HUMAN BETA-TRYPTASE: A RING-LIKE TETRAMER WITH ACTIVE SITES FACING A CENTRAL PORE
Descriptor: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, BETA-TRYPTASE
Authors:Pereira, P.J.B, Bergner, A, Macedo-Ribeiro, S, Huber, R, Matschiner, G, Fritz, H, Sommerhoff, C.P, Bode, W.
Deposit date:1997-12-03
Release date:1999-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human beta-tryptase is a ring-like tetramer with active sites facing a central pore.
Nature, 392, 1998
2NWD
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BU of 2nwd by Molmil
Structure of chemically synthesized human lysozyme at 1 Angstrom resolution
Descriptor: Lysozyme C
Authors:Durek, T, Torbeev, V.Y, Kent, S.B.H.
Deposit date:2006-11-14
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Convergent chemical synthesis and high-resolution x-ray structure of human lysozyme.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2CKM
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BU of 2ckm by Molmil
Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE
Authors:Brumshtein, B, Rydberg, E.H, Greenblatt, H.M, Wong, D.M, Shaya, D, Williams, L.D, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L.
Deposit date:2006-04-20
Release date:2006-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
2I3C
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BU of 2i3c by Molmil
Crystal Structure of an Aspartoacylase from Homo Sapiens
Descriptor: Aspartoacylase, PHOSPHATE ION, ZINC ION
Authors:Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-08-17
Release date:2006-08-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of aspartoacylase, the brain enzyme impaired in Canavan disease.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1914
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BU of 1914 by Molmil
SIGNAL RECOGNITION PARTICLE ALU RNA BINDING HETERODIMER, SRP9/14
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHATE ION, SIGNAL RECOGNITION PARTICLE 9/14 FUSION PROTEIN
Authors:Birse, D, Kapp, U, Strub, K, Cusack, S, Aberg, A.
Deposit date:1997-11-13
Release date:1998-12-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The crystal structure of the signal recognition particle Alu RNA binding heterodimer, SRP9/14.
EMBO J., 16, 1997
5L88
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BU of 5l88 by Molmil
AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSILATED, CRYSTAL FORM I, non-parsimonious model
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Anti-afamin antibody N14, Fab fragment, ...
Authors:Rupp, B, Naschberger, A.
Deposit date:2016-06-07
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
5L9D
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BU of 5l9d by Molmil
AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSYLATED, CRYSTAL FORM I, parsimonious model
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Rupp, B, Naschberger, A.
Deposit date:2016-06-10
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
4WWC
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BU of 4wwc by Molmil
Crystal structure of full length YvoA in complex with palindromic operator DNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(P*CP*AP*GP*TP*GP*GP*TP*CP*TP*AP*GP*AP*CP*CP*AP*CP*TP*GP*G)-3'), HTH-type transcriptional repressor YvoA
Authors:Grau, F.C, Fillenberg, S.B, Muller, Y.A.
Deposit date:2014-11-10
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structural insight into operator dre-sites recognition and effector binding in the GntR/HutC transcription regulator NagR.
Nucleic Acids Res., 43, 2015
7PD9
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BU of 7pd9 by Molmil
Crystal structure of CD73 in complex with riboflavin in the open form
Descriptor: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Scaletti, E.R, Strater, N.
Deposit date:2021-08-04
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives.
Purinergic Signal, 17, 2021
1GXO
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BU of 1gxo by Molmil
Mutant D189A of Family 10 polysaccharide lyase from Cellvibrio cellulosa in complex with trigalaturonic acid
Descriptor: CALCIUM ION, PECTATE LYASE, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
Authors:Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J.
Deposit date:2002-04-08
Release date:2002-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
1GXM
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BU of 1gxm by Molmil
Family 10 polysaccharide lyase from Cellvibrio cellulosa
Descriptor: GLYCEROL, PECTATE LYASE
Authors:Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J.
Deposit date:2002-04-08
Release date:2002-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
1GXN
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BU of 1gxn by Molmil
Family 10 polysaccharide lyase from Cellvibrio cellulosa
Descriptor: PECTATE LYASE
Authors:Charnock, S.J, Brown, I.E, Turkenburg, J.P, Black, G.W, Davies, G.J.
Deposit date:2002-04-08
Release date:2002-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Convergent Evolution Sheds Light on the Anti-Beta-Elimination Mechanism Common to Family 1 and 10 Polysaccharide Lyases
Proc.Natl.Acad.Sci.USA, 99, 2002
3BY0
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BU of 3by0 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ...
Authors:Clifton, M.C, Pizzaro, J.C, Strong, R.K.
Deposit date:2008-01-15
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.572 Å)
Cite:The siderocalin/enterobactin interaction: a link between mammalian immunity and bacterial iron transport.
J.Am.Chem.Soc., 130, 2008
5L7X
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BU of 5l7x by Molmil
Afamin antibody fragment, N14 Fab, L1- glycosylated, crystal form II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Mouse Antibody Fab Fragment, ...
Authors:Rupp, B, Naschberger, A.
Deposit date:2016-06-04
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
5L01
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BU of 5l01 by Molmil
Tryptophan 5-hydroxylase in complex with inhibitor (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
Descriptor: (3~{S})-8-[2-azanyl-6-[(1~{R})-1-(4-chloranyl-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid, FE (III) ION, Tryptophan 5-hydroxylase 1
Authors:Stein, A.J, Goldberg, D.R, De Lombaert, S, Holt, M.C.
Deposit date:2016-07-26
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of spirocyclic proline tryptophan hydroxylase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5L2H
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BU of 5l2h by Molmil
Crystal Structure of W26A mutant of anti-EGFR Centyrin P54AR4-83v2
Descriptor: Centyrin, GLYCEROL
Authors:Cardoso, R.M.F, Goldberg, S.D, O Neil, K.T, Gilliland, G.L.
Deposit date:2016-08-01
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8013 Å)
Cite:Engineering a targeted delivery platform using Centyrins.
Protein Eng. Des. Sel., 29, 2016

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