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1QVI
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Crystal structure of scallop myosin S1 in the pre-power stroke state to 2.6 Angstrom resolution: flexibility and function in the head
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Gourinath, S, Himmel, D.M, Brown, J.H, Reshetnikova, L, Szent-Gyrgyi, A.G, Cohen, C.
Deposit date:2003-08-27
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of scallop Myosin s1 in the pre-power stroke state to 2.6 a resolution: flexibility and function in the head.
Structure, 11, 2003
1Q8W
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The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor Fasudil (HA-1077)
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Breitenlechner, C, Gassel, M, Hidaka, H, Kinzel, V, Huber, R, Engh, R.A, Bossemeyer, D.
Deposit date:2003-08-22
Release date:2003-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein kinase A in complex with Rho-kinase inhibitors Y-27632, Fasudil, and H-1152P: structural basis of selectivity.
Structure, 11, 2003
1Q8U
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The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor H-1152P
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-dependent protein kinase inhibitor, ...
Authors:Breitenlechner, C, Gassel, M, Hidaka, H, Kinzel, V, Huber, R, Engh, R.A, Bossemeyer, D.
Deposit date:2003-08-22
Release date:2003-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein kinase A in complex with Rho-kinase inhibitors Y-27632, Fasudil, and H-1152P: structural basis of selectivity.
Structure, 11, 2003
1Q93
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BU of 1q93 by Molmil
Crystal structure of a mutant of the sarcin/ricin domain from rat 28S rRNA
Descriptor: SODIUM ION, SULFATE ION, Sarcin/Ricin 28S rRNA
Authors:Correll, C.C, Beneken, J, Plantinga, M.J, Lubbers, M, Chan, Y.L.
Deposit date:2003-08-22
Release date:2003-11-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The common and distinctive features of the bulged-G motif based on a 1.04 A resolution RNA structure
Nucleic Acids Res., 31, 2003
5LZC
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BU of 5lzc by Molmil
Structure of SelB-Sec-tRNASec bound to the 70S ribosome in the codon reading state (CR)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
Deposit date:2016-09-29
Release date:2016-11-23
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
2QM8
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MeaB, A Bacterial Homolog of MMAA, in the Nucleotide Free Form
Descriptor: GTPase/ATPase, PHOSPHATE ION
Authors:Hubbard, P.A, Padovani, D, Labunska, T, Mahlstedt, S.A, Banerjee, R, Drennan, C.L.
Deposit date:2007-07-14
Release date:2007-08-28
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure and mutagenesis of the metallochaperone MeaB: insight into the causes of methylmalonic aciduria.
J.Biol.Chem., 282, 2007
2QT9
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Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
Descriptor: (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH EXYL)BUTANAMIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2007-08-01
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2R1U
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BU of 2r1u by Molmil
DJ-1 activation by catechol quinone modification
Descriptor: Protein DJ-1
Authors:Zhongtao, Z, Yue, F.
Deposit date:2007-08-23
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:DJ-1 activation by catechol quinone modification
To be Published
2QOM
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BU of 2qom by Molmil
The crystal structure of the E.coli EspP autotransporter Beta-domain.
Descriptor: Serine protease espP
Authors:Barnard, T.J, Dautin, N, Lukacik, P, Bernstein, H.D, Buchanan, S.K.
Deposit date:2007-07-20
Release date:2007-11-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Autotransporter structure reveals intra-barrel cleavage followed by conformational changes.
Nat.Struct.Mol.Biol., 14, 2007
2CM6
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BU of 2cm6 by Molmil
crystal structure of the C2B domain of rabphilin3A
Descriptor: CALCIUM ION, PHOSPHATE ION, RABPHILIN-3A
Authors:Schlicker, C, Montaville, P, Sheldrick, G.M, Becker, S.
Deposit date:2006-05-04
Release date:2006-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The C2A-C2B Linker Defines the High Affinity Ca2+ Binding Mode of Rabphilin-3A.
J.Biol.Chem., 282, 2007
5LQ0
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Crystal structure of Tyr24 phosphorylated Annexin A2 at 2.9 A resolution
Descriptor: Annexin A2, CALCIUM ION
Authors:Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
Deposit date:2016-08-15
Release date:2017-07-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
2R4J
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BU of 2r4j by Molmil
Crystal structure of Escherichia coli SeMet substituted Glycerol-3-phosphate Dehydrogenase in complex with DHAP
Descriptor: 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, Aerobic glycerol-3-phosphate dehydrogenase, ...
Authors:Yeh, J.I, Du, S, Chinte, U.
Deposit date:2007-08-31
Release date:2008-06-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1R6U
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BU of 1r6u by Molmil
Crystal structure of an active fragment of human tryptophanyl-tRNA synthetase with cytokine activity
Descriptor: GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase
Authors:Yang, X.-L, Otero, F.J, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P.
Deposit date:2003-10-16
Release date:2004-01-06
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and crystal structure analysis of active site adaptations of a potent anti-angiogenic human tRNA synthetase
Structure, 15, 2007
3GCG
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BU of 3gcg by Molmil
crystal structure of MAP and CDC42 complex
Descriptor: Cell division control protein 42 homolog, L0028 (Mitochondria associated protein)
Authors:Chai, J, Huang, Z, Feng, Y, Wu, X.
Deposit date:2009-02-22
Release date:2009-07-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into host GTPase isoform selection by a family of bacterial GEF mimics
Nat.Struct.Mol.Biol., 16, 2009
6H1K
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BU of 6h1k by Molmil
The major G-quadruplex form of HIV-1 LTR
Descriptor: DNA (28-MER)
Authors:Phan, A.T, Heddi, B, Butovskaya, E, Bakalar, B, Richter, S.N.
Deposit date:2018-07-11
Release date:2018-10-17
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Major G-Quadruplex Form of HIV-1 LTR Reveals a (3 + 1) Folding Topology Containing a Stem-Loop.
J. Am. Chem. Soc., 140, 2018
1R9N
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BU of 1r9n by Molmil
Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, ...
Authors:Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.-C, Skene, R, Webb, D.R, Prasad, G.S.
Deposit date:2003-10-30
Release date:2005-03-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004
6H9B
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1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation
Descriptor: 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Varela, P.F, Gigant, B.
Deposit date:2018-08-03
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin-Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation.
J. Med. Chem., 62, 2019
2VNY
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BU of 2vny by Molmil
Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine
Descriptor: 1-(9H-purin-6-yl)piperidin-4-amine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
5LZD
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BU of 5lzd by Molmil
Structure of SelB-Sec-tRNASec bound to the 70S ribosome in the GTPase activated state (GA)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
Deposit date:2016-09-29
Release date:2016-11-23
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
5LPU
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BU of 5lpu by Molmil
Crystal structure of Annexin A2 complexed with S100A4
Descriptor: Annexin A2, CALCIUM ION, GLYCEROL, ...
Authors:Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
Deposit date:2016-08-15
Release date:2017-07-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
6HHF
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BU of 6hhf by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib
Descriptor: Borussertib, RAC-alpha serine/threonine-protein kinase
Authors:Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
Deposit date:2018-08-28
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
5LZE
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BU of 5lze by Molmil
Structure of the 70S ribosome with Sec-tRNASec in the classical pre-translocation state (C)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
Deposit date:2016-09-29
Release date:2016-11-23
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
2VO0
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BU of 2vo0 by Molmil
Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, ...
Authors:Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
5M3Y
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BU of 5m3y by Molmil
Crystal structure of human glycosylated angiotensinogen
Descriptor: Angiotensinogen, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yan, Y, Read, R.J.
Deposit date:2016-10-17
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the specificity of renin-mediated angiotensinogen cleavage.
J. Biol. Chem., 294, 2019
1SVE
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Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1
Descriptor: (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER, N-OCTANOYL-N-METHYLGLUCAMINE, SODIUM ION, ...
Authors:Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B.
Deposit date:2004-03-29
Release date:2005-03-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004

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