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1CC3
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BU of 1cc3 by Molmil
PURPLE CUA CENTER
Descriptor: COPPER (II) ION, PROTEIN (CUA AZURIN)
Authors:Robinson, H, Ang, M.C, Gao, Y.-G, Hay, M.T, Lu, Y, Wang, A.H.-J.
Deposit date:1999-03-03
Release date:1999-12-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of electron transfer modulation in the purple CuA center.
Biochemistry, 38, 1999
3K4S
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BU of 3k4s by Molmil
The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
Descriptor: (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, MAGNESIUM ION, ZINC ION, ...
Authors:Crawley, L, Cheng, R.K.Y, Wood, M, Barker, J, Felicetti, B, Whittaker, M.
Deposit date:2009-10-06
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
1S1E
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BU of 1s1e by Molmil
Crystal Structure of Kv Channel-interacting protein 1 (KChIP-1)
Descriptor: CALCIUM ION, Kv channel interacting protein 1
Authors:Scannevin, R.H, Wang, K.-W, Jow, F, Megules, J, Kopsco, D.C, Edris, W, Carroll, K.C, Lu, Q, Xu, W.-X, Xu, Z.-B, Katz, A.H, Olland, S, Lin, L, Taylor, M, Stahl, M, Malakian, K, Somers, W, Mosyak, L, Bowlby, M.R, Chanda, P, Rhodes, K.J.
Deposit date:2004-01-06
Release date:2005-01-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Two N-terminal domains of Kv4 K(+) channels regulate binding to and modulation by KChIP1.
Neuron, 41, 2004
1RWN
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BU of 1rwn by Molmil
Crystal structure of human caspase-1 in complex with 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
Descriptor: 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWV
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BU of 1rwv by Molmil
Crystal structure of human caspase-1 in complex with 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid
Descriptor: 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Burdett, M.T, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Caspase-1 Inhibitors Discovered Using Tethering(SM) with Extenders
TO BE PUBLISHED
1RWM
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BU of 1rwm by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid
Descriptor: 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
3L15
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BU of 3l15 by Molmil
Human Tead2 transcriptional factor
Descriptor: GLYCEROL, Transcriptional enhancer factor TEF-4
Authors:Tomchick, D.R, Luo, X, Tian, W.
Deposit date:2009-12-10
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
5UFL
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BU of 5ufl by Molmil
Crystal structure of a CIP2A core domain
Descriptor: Protein CIP2A, ZINC ION
Authors:Wang, Z, Wang, J, Rao, Z, Xu, W.
Deposit date:2017-01-04
Release date:2017-02-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Oncoprotein CIP2A is stabilized via interaction with tumor suppressor PP2A/B56.
EMBO Rep., 18, 2017
1RWW
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BU of 1rww by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
Descriptor: 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
5UES
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BU of 5ues by Molmil
BRD4_BD2_A-1344772
Descriptor: 5-[2-(4-chlorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Complex structure of BRD4_BD2_A-1344772
To Be Published
5UEZ
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BU of 5uez by Molmil
BRD4_BD2_A-1342843
Descriptor: 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5JW7
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BU of 5jw7 by Molmil
Crystal structure of SopA-Trim56 complex
Descriptor: E3 ubiquitin-protein ligase SopA, E3 ubiquitin-protein ligase TRIM56, ZINC ION
Authors:Bhogaraju, S, Dikic, I.
Deposit date:2016-05-11
Release date:2017-02-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.849 Å)
Cite:Structural basis for the recognition and degradation of host TRIM proteins by Salmonella effector SopA.
Nat Commun, 8, 2017
5JWE
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BU of 5jwe by Molmil
Crystal structure of H-2Db in complex with the LCMV-derived GP92-101 peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Buratto, J, Badia-Martinez, D, Norstrom, M, Sandalova, T, Achour, A.
Deposit date:2016-05-12
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of H-2Db in complex with the LCMV-derived peptides GP92 and GP392 explain pleiotropic effects of glycosylation on antigen presentation and immunogenicity.
PLoS ONE, 12, 2017
3KG5
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BU of 3kg5 by Molmil
Crystal structure of human Ig-beta homodimer
Descriptor: B-cell antigen receptor complex-associated protein beta chain
Authors:Radaev, S, Sun, P.D.
Deposit date:2009-10-28
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
4Y4V
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BU of 4y4v by Molmil
Structure of Helicobacter pylori Csd6 in the D-Ala-bound state
Descriptor: Conserved hypothetical secreted protein, D-ALANINE, GLYCEROL
Authors:Kim, H.S, Im, H.N, Yoon, H.J, Suh, S.W.
Deposit date:2015-02-11
Release date:2015-09-02
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The Cell Shape-determining Csd6 Protein from Helicobacter pylori Constitutes a New Family of l,d-Carboxypeptidase
J.Biol.Chem., 290, 2015
3KEX
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BU of 3kex by Molmil
Crystal structure of the catalytically inactive kinase domain of the human epidermal growth factor receptor 3 (HER3)
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Receptor tyrosine-protein kinase erbB-3
Authors:Jura, N, Shan, Y, Cao, X, Shaw, D.E, Kuriyan, J.
Deposit date:2009-10-26
Release date:2009-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Structural analysis of the catalytically inactive kinase domain of the human EGF receptor 3.
Proc.Natl.Acad.Sci.USA, 106, 2009
3KGA
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BU of 3kga by Molmil
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor
Descriptor: 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
Authors:Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C.
Deposit date:2009-10-28
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
3KJO
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BU of 3kjo by Molmil
Crystal Structure of hPOT1V2-dTrUd(AGGGTTAG)
Descriptor: DNA/RNA (5'-D(*T)-R(P*U)-D(P*AP*GP*GP*GP*TP*TP*AP*G)-3'), Protection of telomeres protein 1
Authors:Nandakumar, J, Cech, T.R, Podell, E.R.
Deposit date:2009-11-03
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:How telomeric protein POT1 avoids RNA to achieve specificity for single-stranded DNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
4YQF
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BU of 4yqf by Molmil
GTPase domain of Human Septin 9
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Septin-9
Authors:Matos, S.O, Leonardo, D.A, Macedo, J.N, Pereira, H.M, Araujo, A.P.U, Garratt, R.C.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:GTPase domain of Human Septin 9
To Be Published
5U6L
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BU of 5u6l by Molmil
Solution structure of the zinc fingers 3 and 4 of MBNL1
Descriptor: Muscleblind-like protein 1, ZINC ION
Authors:Phukan, P.D, Park, S, Martinez-Yamout, M.M, Zeeb, M, Dyson, H.J, Wright, P.E.
Deposit date:2016-12-08
Release date:2017-08-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Interaction of the Tandem Zinc Finger Domains of Human Muscleblind with Cognate RNA from Human Cardiac Troponin T.
Biochemistry, 56, 2017
5UII
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BU of 5uii by Molmil
structure of DHFR with bound buformin and NADP
Descriptor: CALCIUM ION, Dihydrofolate reductase, N-butyl-N'-(diaminomethylidene)guanidine, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2018-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
4YK9
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BU of 4yk9 by Molmil
Complex structure of BCL-XL and mutated BIM BH3 domain
Descriptor: ACETATE ION, BH3BIM, Bcl-2-like protein 1, ...
Authors:Ha, N.C, Kim, J.S.
Deposit date:2015-03-04
Release date:2016-04-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complex structure of BCL-XL and mutated BIM BH3 domain
To be published
1S7W
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BU of 1s7w by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 index peptide and three of its escape variants
Descriptor: Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
Authors:Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A.
Deposit date:2004-01-30
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
3KE0
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BU of 3ke0 by Molmil
Crystal structure of N370S Glucocerebrosidase at acidic pH.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wei, R.R, Boucher, S, Pan, C.Q, Edmunds, T.
Deposit date:2009-10-23
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Glucocerebrosidase Containing the N370S Mutation, Implications for Chaperon Therapy
To be Published
1S9N
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BU of 1s9n by Molmil
Solution structure of the nitrous acid (G)-(G) cross-linked DNA dodecamer duplex GCATCC(G)GATGC
Descriptor: 5'-D(*GP*CP*AP*TP*CP*CP*GP*GP*AP*TP*GP*C)-3'
Authors:Edfeldt, N.B.F, Harwood, E.A, Sigurdsson, S.T, Hopkins, P.B, Reid, B.R.
Deposit date:2004-02-05
Release date:2005-06-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a nitrous acid induced DNA interstrand cross-link
Nucleic Acids Res., 32, 2004

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