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PDB: 2004 results

2W3Z
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BU of 2w3z by Molmil
Structure of a Streptococcus mutans CE4 esterase
Descriptor: PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION
Authors:Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W.
Deposit date:2008-11-17
Release date:2008-12-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin.
J.Bacteriol., 191, 2009
3QLH
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BU of 3qlh by Molmil
HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket
Descriptor: (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E.
Deposit date:2011-02-02
Release date:2011-12-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
3R6P
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BU of 3r6p by Molmil
Crystal structure of abscisic acid-bound PYL10
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL10
Authors:Sun, D.M, Wu, M.H, Wang, H.P, Zang, J.Y, Tian, C.L.
Deposit date:2011-03-22
Release date:2011-12-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of abscisic acid-bound PYL10
To be Published
1TYC
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BU of 1tyc by Molmil
STRUCTURAL ANALYSIS OF A SERIES OF MUTANTS OF TYROSYL-TRNA SYNTHETASE: ENHANCEMENT OF CATALYSIS BY HYDROPHOBIC INTERACTIONS
Descriptor: TYROSYL-tRNA SYNTHETASE
Authors:Brown, K.A, Brick, P, De Meester, P, Blow, D.M.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of a Series of Mutants of Tyrosyl-tRNA Synthetase: Enhancement of Catalysis by Hydrophobic Interactions
To be Published
1TYB
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BU of 1tyb by Molmil
STRUCTURAL ANALYSIS OF A SERIES OF MUTANTS OF TYROSYL-TRNA SYNTHETASE: ENHANCEMENT OF CATALYSIS BY HYDROPHOBIC INTERACTIONS
Descriptor: TYROSINE, TYROSYL-tRNA SYNTHETASE
Authors:Brown, K.A, De Meester, P, Blow, D.M.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of a Series of Mutants of Tyrosyl-tRNA Synthetase: Enhancement of Catalysis by Hydrophobic Interactions
To be Published
1TYA
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BU of 1tya by Molmil
STRUCTURAL ANALYSIS OF A SERIES OF MUTANTS OF TYROSYL-TRNA SYNTHETASE: ENHANCEMENT OF CATALYSIS BY HYDROPHOBIC INTERACTIONS
Descriptor: TYROSINE, TYROSYL-tRNA SYNTHETASE
Authors:Brown, K.A, De Meester, P, Blow, D.M.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of a Series of Mutants of Tyrosyl-tRNA Synthetase: Enhancement of Catalysis by Hydrophobic Interactions
To be Published
1TYD
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BU of 1tyd by Molmil
STRUCTURE OF TYROSYL-TRNA SYNTHETASE REFINED AT 2.3 ANGSTROMS RESOLUTION. INTERACTION OF THE ENZYME WITH THE TYROSYL ADENYLATE INTERMEDIATE
Descriptor: TYROSINE, TYROSYL-tRNA SYNTHETASE
Authors:Brown, K.A, De Meester, P, Blow, D.M.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of tyrosyl-tRNA synthetase refined at 2.3 A resolution. Interaction of the enzyme with the tyrosyl adenylate intermediate.
J.Mol.Biol., 208, 1989
3O2U
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BU of 3o2u by Molmil
S. cerevisiae Ubc12
Descriptor: GLYCEROL, NEDD8-conjugating enzyme UBC12
Authors:Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
Deposit date:2010-07-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
3OEH
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BU of 3oeh by Molmil
Structure of four mutant forms of yeast F1 ATPase: beta-V279F
Descriptor: ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ...
Authors:Arsenieva, D, Symersky, J, Wang, Y, Pagadala, V, Mueller, D.M.
Deposit date:2010-08-12
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling.
J.Biol.Chem., 285, 2010
3O2P
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BU of 3o2p by Molmil
A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB)
Descriptor: Cell division control protein 53, Defective in cullin neddylation protein 1, GLYCEROL
Authors:Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
Deposit date:2010-07-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.233 Å)
Cite:A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
3OE7
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BU of 3oe7 by Molmil
Structure of four mutant forms of yeast f1 ATPase: gamma-I270T
Descriptor: ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ...
Authors:Arsenieva, D, Symersky, J, Wang, Y, Pagadala, V, Mueller, D.M.
Deposit date:2010-08-12
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling.
J.Biol.Chem., 285, 2010
3O8X
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BU of 3o8x by Molmil
Recognition of Glycolipid Antigen by iNKT Cell TCR
Descriptor: (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC 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:Zajonc, D.M, Li, Y.
Deposit date:2010-08-03
Release date:2010-09-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode.
J.Exp.Med., 207, 2010
3O9W
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BU of 3o9w by Molmil
Recognition of a Glycolipid Antigen by the iNKT Cell TCR
Descriptor: (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Li, Y.
Deposit date:2010-08-04
Release date:2010-09-29
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The V alpha 14 invariant natural killer T cell TCR forces microbial glycolipids and CD1d into a conserved binding mode.
J.Exp.Med., 207, 2010
3OMJ
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BU of 3omj by Molmil
Structural Basis for Cyclic Py-Im Polyamide Allosteric Inhibition of Nuclear Receptor Binding
Descriptor: (23R,52R)-23,52-diamino-5,11,17,28,34,40,46,57-octamethyl-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-icosaazanonacyclo[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]hexahexaconta-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-hexadecaene-3,9,15,21,26,32,38,44,50,55-decone, 5'-D(*CP*(C38)P*AP*GP*TP*AP*CP*TP*GP*G)-3', CALCIUM ION
Authors:Chenoweth, D.M.
Deposit date:2010-08-27
Release date:2010-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural basis for cyclic py-im polyamide allosteric inhibition of nuclear receptor binding.
J.Am.Chem.Soc., 132, 2010
3OJD
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BU of 3ojd by Molmil
Anti-Indolicidin monoclonal antibody V2D2 (Fab fragment)
Descriptor: Fab V2D2
Authors:Lomash, S, Salunke, D.M.
Deposit date:2010-08-22
Release date:2010-09-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An antibody as surrogate receptor reveals determinants of activity of an innate immune peptide antibiotic
J.Biol.Chem., 285, 2010
3P0G
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BU of 3p0g by Molmil
Structure of a nanobody-stabilized active state of the beta2 adrenoceptor
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor, Lysozyme, ...
Authors:Rasmussen, S.G.F, Choi, H.-J, Fung, J.J, Pardon, E, Casarosa, P, Chae, P.S, DeVree, B.T, Rosenbaum, D.M, Thian, F.S, Kobilka, T.S, Schnapp, A, Konetzki, I, Sunahara, R.K, Gellman, S.H, Pautsch, A, Steyaert, J, Weis, W.I, Kobilka, B.K.
Deposit date:2010-09-28
Release date:2011-01-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a nanobody-stabilized active state of the b2 adrenoceptor
Nature, 469, 2011
3OR7
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BU of 3or7 by Molmil
On the structural basis of modal gating behavior in K+channels - E71I
Descriptor: POTASSIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ...
Authors:Chakrapani, S, Cordero-Morales, J.F, Jogini, V, Pan, A.C, Cortes, D.M, Roux, B, Perozo, E.
Deposit date:2010-09-06
Release date:2011-01-05
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:On the structural basis of modal gating behavior in K(+) channels.
Nat.Struct.Mol.Biol., 18, 2011
3PWY
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BU of 3pwy by Molmil
Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2
Descriptor: 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
Authors:Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
3PSC
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BU of 3psc by Molmil
Bovine GRK2 in complex with Gbetagamma subunits
Descriptor: Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1
Authors:Thal, D.M, Tesmer, J.J.
Deposit date:2010-12-01
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol.Pharmacol., 80, 2011
3PND
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BU of 3pnd by Molmil
FAD binding by ApbE protein from Salmonella enterica: a new class of FAD binding proteins
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thiamine biosynthesis lipoprotein ApbE
Authors:Boyd, J.M, Endrizzi, J.A, Hamilton, T.L, Christopherson, M.R, Mulder, D.W, Downs, D.M, Peters, J.W.
Deposit date:2010-11-18
Release date:2011-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:FAD binding by ApbE protein from Salmonella enterica: a new class of FAD-binding proteins.
J.Bacteriol., 193, 2011
3PVU
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BU of 3pvu by Molmil
Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD101)
Descriptor: 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Thal, D.M, Tesmer, J.J.
Deposit date:2010-12-07
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol.Pharmacol., 80, 2011
3QHR
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BU of 3qhr by Molmil
Structure of a pCDK2/CyclinA transition-state mimic
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CDK2 substrate peptide: PKTPKKAKKL, CHLORIDE ION, ...
Authors:Young, M.A, Jacobsen, D.M, Bao, Z.Q.
Deposit date:2011-01-26
Release date:2011-05-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Briefly Bound to Activate: Transient Binding of a Second Catalytic Magnesium Activates the Structure and Dynamics of CDK2 Kinase for Catalysis.
Structure, 19, 2011
3O78
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BU of 3o78 by Molmil
The structure of Ca2+ Sensor (Case-12)
Descriptor: CALCIUM ION, Myosin light chain kinase, smooth muscle,Green fluorescent protein,Green fluorescent protein,Calmodulin-1
Authors:Leder, L, Stark, W, Freuler, F, Marsh, M, Meyerhofer, M, Stettler, T, Mayr, L.M, Britanova, O.V, Strukova, L.A, Chudakov, D.M.
Deposit date:2010-07-30
Release date:2010-09-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of Ca2+ sensor Case16 reveals the mechanism of reaction to low Ca2+ concentrations
Sensors (Basel), 10, 2010
3PRV
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BU of 3prv by Molmil
Nucleoside diphosphate kinase B from Trypanosoma cruzi
Descriptor: Nucleoside diphosphate kinase
Authors:Souza, T.A.C.B, Trindade, D.M, Tonoli, C.C.C, Santos, C.R, Oliveira, A.H.C, Murakami, M.T.
Deposit date:2010-11-30
Release date:2011-05-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding.
Mol Biosyst, 7, 2011
3PVW
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BU of 3pvw by Molmil
Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD103A)
Descriptor: Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Thal, D.M, Tesmer, J.J.
Deposit date:2010-12-07
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol.Pharmacol., 80, 2011

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