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5TVB
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BU of 5tvb by Molmil
Structure of the TPR oligomerization domain
Descriptor: Nucleoprotein TPR
Authors:Pal, K, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E.
Deposit date:2016-11-08
Release date:2017-09-20
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases.
Structure, 25, 2017
3X2W
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BU of 3x2w by Molmil
Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
Authors:Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
5TZZ
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BU of 5tzz by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-bromo-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
Descriptor: (3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2016-11-22
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
5U2M
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BU of 5u2m by Molmil
Crystal structure of human NAMPT with A-1293201
Descriptor: N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2016-11-30
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
4AU8
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BU of 4au8 by Molmil
Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
Descriptor: 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide, CYCLIN-DEPENDENT KINASE 5, IMIDAZOLE, ...
Authors:Malmstrom, J, Viklund, J, Slivo, C, Costa, A, Maudet, M, Sandelin, C, Hiller, G, Olsson, L.L, Aagaard, A, Geschwindner, S, Xue, Y, Vasange, M.
Deposit date:2012-05-14
Release date:2013-03-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5UNO
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BU of 5uno by Molmil
Crystal Structure of Hip1 (Rv2224c)
Descriptor: Carboxylesterase A
Authors:Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
Deposit date:2017-01-31
Release date:2017-04-12
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
5UYP
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BU of 5uyp by Molmil
70S ribosome bound with near-cognate ternary complex base-paired to A site codon, open 30S (Structure II-nc)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Grigorieff, N, Korostelev, A.A.
Deposit date:2017-02-24
Release date:2017-06-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ensemble cryo-EM elucidates the mechanism of translation fidelity
Nature, 546, 2017
5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
Descriptor: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5V62
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BU of 5v62 by Molmil
Phospho-ERK2 bound to bivalent inhibitor SBP3
Descriptor: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Lechtenberg, B.C, Riedl, S.J.
Deposit date:2017-03-15
Release date:2017-07-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
5VC7
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BU of 5vc7 by Molmil
VCP like ATPase from T. acidophilum (VAT) - conformation 1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, VCP-like ATPase
Authors:Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L.
Deposit date:2017-03-31
Release date:2017-04-26
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of a AAA+ unfoldase in the process of unfolding substrate.
Elife, 6, 2017
2GJY
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BU of 2gjy by Molmil
NMR Solution Structure of Tensin1 PTB Domain
Descriptor: Tensin
Authors:Leone, M, Pellecchia, M.
Deposit date:2006-03-31
Release date:2007-04-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The PTB domain of tensin: NMR solution structure and phosphoinositides binding studies.
Biopolymers, 89, 2007
4B9D
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BU of 4b9d by Molmil
Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ...
Authors:Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2012-09-04
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
2K58
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BU of 2k58 by Molmil
NMR structures of the first transmembrane domain of the neuronal acetylcholine receptor beta 2 subunit
Descriptor: Neuronal acetylcholine receptor subunit beta-2
Authors:Bondarenko, V, Tang, P, Xu, Y.
Deposit date:2008-06-25
Release date:2008-07-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the first transmembrane domain of the neuronal acetylcholine receptor beta 2 subunit
Biophys.J., 92, 2007
2KBX
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BU of 2kbx by Molmil
Solution structure of ILK-PINCH complex
Descriptor: Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, ZINC ION
Authors:Qin, J.
Deposit date:2008-12-10
Release date:2008-12-30
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Cytosketal proteins
To be Published
2KNO
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BU of 2kno by Molmil
NMR Solution Structure of SH2 Domain of the Human Tensin Like C1 Domain Containing Phosphatase (TENC1)
Descriptor: Tensin-like C1 domain-containing phosphatase
Authors:Chen, L, Feng, R, Liu, C, Zhu, G.
Deposit date:2009-08-27
Release date:2010-09-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR Solution Structure of SH2 Domain of the Human Tensin Like C1 Domain Containing Phosphatase (TENC1)
To be Published
2KOJ
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BU of 2koj by Molmil
Solution structure of mouse Par-3 PDZ2 (residues 450-558)
Descriptor: Partitioning defective 3 homolog
Authors:Volkman, B.F, Tyler, R.C, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-09-23
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Macromolecular Structure Determination by NMR Sepectroscopy
Structural Bioinformatics, 2nd edition, 2009
2K95
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BU of 2k95 by Molmil
Solution structure of the wild-type P2B-P3 pseudoknot of human telomerase RNA
Descriptor: Telomerase RNA P2b-P3 pseudoknot
Authors:Kim, N.-K, Zhang, Q, Zhou, J, Theimer, C.A, Peterson, R.D, Feigon, J.
Deposit date:2008-09-29
Release date:2008-11-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of the Wild-type Pseudoknot of Human Telomerase RNA.
J.Mol.Biol., 384, 2008
2K59
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BU of 2k59 by Molmil
NMR structures of the second transmembrane domain of the neuronal acetylcholine receptor beta 2 subunit
Descriptor: Neuronal acetylcholine receptor subunit beta-2
Authors:Bondarenko, V, Tang, P, Xu, Y, Yushmanov, V.
Deposit date:2008-06-25
Release date:2008-07-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure and dynamics of the second transmembrane domain of the neuronal acetylcholine receptor beta 2 subunit
Biochemistry, 42, 2003
2K96
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BU of 2k96 by Molmil
Solution structure of the RDC-refined P2B-P3 pseudoknot from human telomerase RNA (delta U177)
Descriptor: TELOMERASE RNA P2B-P3 PSEUDOKNOT
Authors:Kim, N.-K, Zhang, Q, Zhou, J, Theimer, C.A, Peterson, R.D, Feigon, J.
Deposit date:2008-09-29
Release date:2008-11-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of the Wild-type Pseudoknot of Human Telomerase RNA.
J.Mol.Biol., 384, 2008
2KOM
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BU of 2kom by Molmil
Solution structure of humar Par-3b PDZ2 (residues 451-549)
Descriptor: Partitioning defective 3 homolog
Authors:Volkman, B.F, Tyler, R.C, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Rapid, robotic, small-scale protein production for NMR screening and structure determination.
Protein Sci., 19, 2010
2KE7
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BU of 2ke7 by Molmil
NMR structure of the first SAM domain from AIDA1
Descriptor: Ankyrin repeat and sterile alpha motif domain-containing protein 1B
Authors:Donaldson, L.
Deposit date:2009-01-27
Release date:2010-02-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the first SAM domain from AIDA1
To be Published
2KSR
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BU of 2ksr by Molmil
NMR structures of TM domain of the n-Acetylcholine receptor b2 subunit
Descriptor: Neuronal acetylcholine receptor subunit beta-2
Authors:Bondarenko, V, Tillman, T, Xu, Y, Tang, P.
Deposit date:2010-01-12
Release date:2010-06-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the transmembrane domain of the n-acetylcholine receptor beta2 subunit.
Biochim.Biophys.Acta, 1798, 2010
4YXS
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BU of 4yxs by Molmil
CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor: N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Schiffer, A, Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-20
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
5HHV
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BU of 5hhv by Molmil
Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.
Sci Rep, 6, 2016
5HF8
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BU of 5hf8 by Molmil
Crystal structure of human acetylcholinesterase in complex with paraoxon (alternative acyl loop conformation)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J.
Deposit date:2016-01-06
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016

224004

数据于2024-08-21公开中

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