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2MW9
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BU of 2mw9 by Molmil
NMR structure of FBP28 WW2 Y438R mutant
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-03
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MWE
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BU of 2mwe by Molmil
NMR structure of FBP28 WW2 mutant Y438R, L453A DNDC
Descriptor: Transcription elongation regulator 1
Authors:Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T.
Deposit date:2014-11-04
Release date:2014-12-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MUM
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BU of 2mum by Molmil
Solution structure of the PHD domain of Yeast YNG2
Descriptor: Chromatin modification-related protein YNG2, ZINC ION
Authors:Taeb, S, Kaustov, L, Lemak, A, Farhadi, S, Sheng, Y.
Deposit date:2014-09-12
Release date:2014-12-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the PHD domain of Yeast YNG2
To be Published
2N8S
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BU of 2n8s by Molmil
Solution Structure of the rNedd4 WW1 Domain by NMR
Descriptor: E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2N8T
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BU of 2n8t by Molmil
Solution Structure of the rNedd4 WW2 Domain-Cx43CT Peptide Complex by NMR
Descriptor: Cx43CT Peptide, E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2017-03-22
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2NNV
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BU of 2nnv by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2N0H
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BU of 2n0h by Molmil
NMR structure of Neuromedin C in presence of SDS micelles
Descriptor: Neuromedin C (NMC)
Authors:Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J.
Deposit date:2015-03-05
Release date:2015-10-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
2QWK
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BU of 2qwk by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID (GS4071) AND WILDTYPE TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QB3
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Structural Studies Reveal the Inactivation of E. coli L-Aspartate Aminotransferase by (s)-4,5-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 7.5)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
Deposit date:2007-06-15
Release date:2007-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007
2QCB
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BU of 2qcb by Molmil
T7-tagged full-length streptavidin complexed with ruthenium ligand
Descriptor: N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-BENZENE-CHLORO-RUTHENIUM(III), Streptavidin
Authors:Le Trong, I, Creus, M, Pordea, A, Ward, T.R, Stenkamp, R.E.
Deposit date:2007-06-19
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray structure and designed evolution of an artificial transfer hydrogenase
Angew.Chem.Int.Ed.Engl., 47, 2008
2QJJ
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Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Fedorov, A.A, Fedorov, E.V, Rakus, J.F, Vick, J.E, Gerlt, J.A, Almo, S.C.
Deposit date:2007-07-07
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: D-Mannonate dehydratase from Novosphingobium aromaticivorans.
Biochemistry, 46, 2007
2QP3
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BU of 2qp3 by Molmil
Identification and Characterization of Two Amino Acids Critical for the Substrate Inhibition of SULT2A1
Descriptor: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, Bile salt sulfotransferase
Authors:Hsieh, Y.C.
Deposit date:2007-07-23
Release date:2008-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification and characterization of two amino acids critical for the substrate inhibition of human dehydroepiandrosterone sulfotransferase (SULT2A1)
Mol.Pharmacol., 73, 2008
2QWH
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BU of 2qwh by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID (GS4071) AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QWA
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BU of 2qwa by Molmil
THE X-RAY STRUCTURE OF A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QWJ
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BU of 2qwj by Molmil
THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid, ...
Authors:Varghese, J.N.
Deposit date:1998-04-07
Release date:1998-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase.
Structure, 6, 1998
2QZ3
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BU of 2qz3 by Molmil
Crystal structure of a glycoside hydrolase family 11 xylanase from Bacillus subtilis in complex with xylotetraose
Descriptor: ACETIC ACID, Endo-1,4-beta-xylanase A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Vandermarliere, E, Bourgois, T.M, Strelkov, S.V, Delcour, J.A, Courtin, C.M, Rabijns, A.
Deposit date:2007-08-16
Release date:2007-12-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis shows substrate binding at the -3 to +1 active-site subsites and at the surface of glycoside hydrolase family 11 endo-1,4-beta-xylanases.
Biochem.J., 410, 2008
2MDI
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BU of 2mdi by Molmil
Solution structure of the PP2WW mutant (KPP2WW) of HYPB
Descriptor: Histone-lysine N-methyltransferase SETD2
Authors:Gao, Y.G, Hu, H.Y.
Deposit date:2013-09-10
Release date:2014-09-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Autoinhibitory structure of the WW domain of HYPB/SETD2 regulates its interaction with the proline-rich region of huntingtin.
Structure, 22, 2014
2MEJ
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BU of 2mej by Molmil
Solution Structure of the Complex Between BCL-xL and the p53 Core Domain determined with PRE restraints
Descriptor: Bcl-2-like protein 1, Cellular tumor antigen p53, ZINC ION
Authors:Viacava Follis, A, Grace, C.R, Kriwacki, R.W.
Deposit date:2013-09-25
Release date:2014-04-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The DNA-binding domain mediates both nuclear and cytosolic functions of p53.
Nat.Struct.Mol.Biol., 21, 2014
2M3O
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BU of 2m3o by Molmil
Structure and dynamics of a human Nedd4 WW domain-ENaC complex
Descriptor: Amiloride-sensitive sodium channel subunit alpha, E3 ubiquitin-protein ligase NEDD4
Authors:Bobby, R, Medini, K, Neudecker, P, Lee, V, MacDonald, F.J, Brimble, M.A, Lott, J, Dingley, A.J.
Deposit date:2013-01-23
Release date:2013-08-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and dynamics of human Nedd4-1 WW3 in complex with the alpha ENaC PY motif.
Biochim.Biophys.Acta, 1834, 2013
2M6Z
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BU of 2m6z by Molmil
Refined solution structure of Human Adult Hemoglobin in the Carbonmonoxy Form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fan, J.S, Yang, D, Choy, W.Y.
Deposit date:2013-04-15
Release date:2013-09-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure and dynamics of human hemoglobin in the carbonmonoxy form
Biochemistry, 52, 2013
2QBT
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BU of 2qbt by Molmil
Structural Studies Reveal The Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 8.0)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
Deposit date:2007-06-18
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inactivation of Escherichia coli l-Aspartate Aminotransferase by (S)-4-Amino-4,5-dihydro-2-thiophenecarboxylic Acid Reveals "A Tale of Two Mechanisms".
Biochemistry, 46, 2007
2QLX
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BU of 2qlx by Molmil
Crystal structure of rhamnose mutarotase RhaU of Rhizobium leguminosarum in complex with L-Rhamnose
Descriptor: FORMIC ACID, L-rhamnose mutarotase, MAGNESIUM ION, ...
Authors:Carpena, X, Loewen, P.C.
Deposit date:2007-07-13
Release date:2008-12-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:RhaU of Rhizobium leguminosarum is a rhamnose mutarotase.
J.Bacteriol., 190, 2008
2QRY
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BU of 2qry by Molmil
Periplasmic thiamin binding protein
Descriptor: THIAMIN PHOSPHATE, Thiamine-binding periplasmic protein
Authors:Ealick, S.E, Soriano, E.V.
Deposit date:2007-07-30
Release date:2008-02-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Similarities between Thiamin-Binding Protein and Thiaminase-I Suggest a Common Ancestor
Biochemistry, 47, 2008
2QZY
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BU of 2qzy by Molmil
The structure of chicken mitochondrial PEPCK in complex with PEP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ...
Authors:Holyoak, T, Sullivan, S.M, Nowak, T.
Deposit date:2007-08-17
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Mechanism of PEPCK Catalysis
Biochemistry, 45, 2006
2QA3
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BU of 2qa3 by Molmil
Structural Studies Reveal the Inactivation of E. coli L-aspartate aminotransferase by (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms (at pH6.5)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ...
Authors:Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D.
Deposit date:2007-06-14
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms".
Biochemistry, 46, 2007

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