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3PXR
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BU of 3pxr by Molmil
Apo CDK2 crystallized from Jeffamine
Descriptor: 1,2-ETHANEDIOL, Cell division protein kinase 2
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PY0
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BU of 3py0 by Molmil
CDK2 in complex with inhibitor SU9516
Descriptor: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, Cell division protein kinase 2, ...
Authors:Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
4AWX
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BU of 4awx by Molmil
Moonlighting functions of FeoC in the regulation of ferrous iron transport in Feo
Descriptor: FERROUS IRON TRANSPORT PROTEIN B, FERROUS IRON TRANSPORT PROTEIN C, NICKEL (II) ION, ...
Authors:Hung, K.-W, Tsai, J.-Y, Juan, T.-H, Hsu, Y.-L, Hsiao, C.D, Huang, T.-H.
Deposit date:2012-06-06
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Klebsiella Pneumoniae Nfeob/Feoc Complex and Roles of Feoc in Regulation of Fe2+ Transport by the Bacterial Feo System.
J.Bacteriol., 194, 2012
2VV2
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BU of 2vv2 by Molmil
hPPARgamma Ligand binding domain in complex with 5-HEPA
Descriptor: (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:Itoh, T, Fairall, L, Schwabe, J.W.R.
Deposit date:2008-06-02
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
3SQQ
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BU of 3sqq by Molmil
CDK2 in complex with inhibitor RC-3-96
Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-07-06
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3N1N
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BU of 3n1n by Molmil
Crystal structure of the complex of type I ribosome inactivating protein with guanine at 2.2A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GUANINE, Ribosome inactivating protein
Authors:Kushwaha, G.S, Singh, N, Sinha, M, Kaur, P, Betzel, C, Sharma, S, Singh, T.P.
Deposit date:2010-05-16
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structures of a type-1 ribosome inactivating protein from Momordica balsamina in the bound and unbound states
Biochim.Biophys.Acta, 1824, 2012
3N3H
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BU of 3n3h by Molmil
Erythrina corallodendron lectin mutant (Y106G) in complex with citrate
Descriptor: CALCIUM ION, CITRIC ACID, Lectin, ...
Authors:Thamotharan, S, Karthikeyan, T, Kulkarni, K.A, Shetty, K.N, Surolia, A, Vijayan, M, Suguna, K.
Deposit date:2010-05-20
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modification of the sugar specificity of a plant lectin: structural studies on a point mutant of Erythrina corallodendron lectin.
Acta Crystallogr.,Sect.D, 67, 2011
3NB5
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BU of 3nb5 by Molmil
Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Hofmann, A, Osman, A, Davis, R.A.
Deposit date:2010-06-02
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases
J.Med.Chem., 54, 2011
3PPJ
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BU of 3ppj by Molmil
Human B-Raf Kinase in Complex with a Furopyridine Inhibitor
Descriptor: Serine/threonine-protein kinase B-raf, methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate
Authors:Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J.
Deposit date:2010-11-24
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3ZYC
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BU of 3zyc by Molmil
DYNAMIN 1 GTPASE GED FUSION DIMER COMPLEXED WITH GMPPCP
Descriptor: DYNAMIN-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Chappie, J.S, Mears, J.A, Fang, S, Leonard, M, Schmid, S.L, Milligan, R.A, Hinshaw, J.E, Dyda, F.
Deposit date:2011-08-22
Release date:2011-10-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Pseudoatomic Model of the Dynamin Polymer Identifies a Hydrolysis-Dependent Powerstroke.
Cell(Cambridge,Mass.), 147, 2011
3PW2
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BU of 3pw2 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV and incoming dTTP
Descriptor: CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), DNA (5'-D(*TP*TP*(PVX)P*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PXY
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BU of 3pxy by Molmil
CDK2 in complex with inhibitor JWS648
Descriptor: 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, Cell division protein kinase 2, PHOSPHATE ION
Authors:Han, H, Betzi, S, Alam, R, Schonbrunn, E.
Deposit date:2010-12-10
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
3PRG
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BU of 3prg by Molmil
LIGAND BINDING DOMAIN OF HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
Descriptor: PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
Authors:Uppenberg, J, Svensson, C, Jaki, M, Bertilsson, G, Jendeberg, L, Berkenstam, A.
Deposit date:1998-08-24
Release date:1999-08-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the ligand binding domain of the human nuclear receptor PPARgamma.
J.Biol.Chem., 273, 1998
3PRO
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BU of 3pro by Molmil
ALPHA-LYTIC PROTEASE COMPLEXED WITH C-TERMINAL TRUNCATED PRO REGION
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ALPHA-LYTIC PROTEASE
Authors:Sauter, N.K, Mau, T, Rader, S.D, Agard, D.A.
Deposit date:1998-08-26
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of alpha-lytic protease complexed with its pro region.
Nat.Struct.Biol., 5, 1998
4B7K
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BU of 4b7k by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-SER PEPTIDE (20-MER)
Descriptor: CONSENSUS ANKYRIN REPEAT DOMAIN-SER, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, Ge, W, Schofield, C.J.
Deposit date:2012-08-20
Release date:2013-01-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
3PW5
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BU of 3pw5 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dTTP
Descriptor: 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
Authors:Banerjee, S.
Deposit date:2010-12-07
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3Q06
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BU of 3q06 by Molmil
An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity
Descriptor: Cellular tumor antigen p53, DNA (26-MER), ZINC ION
Authors:Petty, T.J, Halazonetis, T.D.
Deposit date:2010-12-15
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity.
Embo J., 30, 2011
4BIO
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BU of 4bio by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH 8-HYDROXYQUINOLINE-5- CARBOXYLIC ACID
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, FE (III) ION, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2013-04-12
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
2XQC
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BU of 2xqc by Molmil
DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE COMPLEXED WITH LEFT END RECOGNITION AND CLEAVAGE SITE AND ZN
Descriptor: 5'-D(TP*TP*GP*AP*TP*GP)-3', DRA2 TRANSPOSASE LEFT END RECOGNITION SEQUENCE, TRANSPOSASE, ...
Authors:Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F.
Deposit date:2010-09-01
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans.
Embo J., 29, 2010
4B7E
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BU of 4b7e by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-LEU PEPTIDE (20-MER)
Descriptor: CONSENSUS ANKYRIN REPEAT DOMAIN-LEU, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
Authors:Chowdhury, R, Ge, W, Schofield, C.J.
Deposit date:2012-08-17
Release date:2013-01-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
4BH8
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BU of 4bh8 by Molmil
CRYSTAL STRUCTURE OF GERMLINE ANTIBODY 36-65 IN COMPLEX WITH PEPTIDE GDPRPSYISHLL
Descriptor: ANTI-ARS MURINE GERMLINE MONOCLONAL ANTIBODY 36-65, DODECAPEPTIDE ANTIGEN
Authors:Khan, T, Salunke, D.M.
Deposit date:2013-03-30
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adjustable Locks and Flexible Keys: Plasticity of Epitope-Paratope Interactions in Germline Antibodies.
J.Immunol., 192, 2014
3NDP
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BU of 3ndp by Molmil
Crystal structure of human AK4(L171P)
Descriptor: Adenylate kinase isoenzyme 4, SULFATE ION
Authors:Liu, R, Wang, Y, Wei, Z, Gong, W.
Deposit date:2010-06-07
Release date:2010-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human adenylate kinase 4 (L171P) suggests the role of hinge region in protein domain motion
Biochem.Biophys.Res.Commun., 379, 2009
3ZXZ
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BU of 3zxz by Molmil
X-ray Structure of PF-04217903 bound to the kinase domain of c-Met
Descriptor: 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL, HEPATOCYTE GROWTH FACTOR RECEPTOR
Authors:McTigue, M, Grodsky, N, Ryan, K, Cui, J.J.
Deposit date:2011-08-16
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer.
J.Med.Chem., 55, 2012
3N9H
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BU of 3n9h by Molmil
Crystal Structural of mutant Y305A in the copper amine oxidase from hansenula polymorpha
Descriptor: COPPER (II) ION, Peroxisomal primary amine oxidase
Authors:Chen, Z, Datta, S, DuBois, J.L, Klinman, J.P, Mathews, F.S.
Deposit date:2010-05-30
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutation at a strictly conserved, active site tyrosine in the copper amine oxidase leads to uncontrolled oxygenase activity.
Biochemistry, 49, 2010
3NB6
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BU of 3nb6 by Molmil
Crystal structure of Aquifex aeolicus peptidoglycan glycosyltransferase in complex with Methylphosphoryl Neryl Moenomycin
Descriptor: Penicillin-binding protein 1A
Authors:Sliz, P, Yuan, Y, Walker, S, Kahne, D.
Deposit date:2010-06-02
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Functional and structural analysis of a key region of the cell wall inhibitor moenomycin.
Acs Chem.Biol., 5, 2010

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