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2C4R
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BU of 2c4r by Molmil
Catalytic domain of E. coli RNase E
Descriptor: MAGNESIUM ION, RIBONUCLEASE E, SSRNA MOLECULE: 5'-R(*AP*CP*AP*GP*UP*AP*UP*UP*UP*GP)-3', ...
Authors:Marcaida, M.J, Callaghan, A.J, Luisi, B.F.
Deposit date:2005-10-21
Release date:2005-10-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of E. Coli Rnase E Catalytic Domain and Implications for RNA Processing and Turnover
Nature, 437, 2005
6OAB
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BU of 6oab by Molmil
Cdc48-Npl4 complex processing poly-ubiquitinated substrate in the presence of ADP-BeFx, state 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 48, ...
Authors:Twomey, E.C, Ji, Z, Wales, T.E, Bodnar, N.O, Engen, J.R, Rapoport, T.A.
Deposit date:2019-03-15
Release date:2019-07-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding.
Science, 365, 2019
6OC3
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BU of 6oc3 by Molmil
Crystal structure of FluA-20 Fab in complex with the head domain of H1 (A/Solomon Islands/3/2006)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of FluA-20 Fab, Hemagglutinin, ...
Authors:Wilson, I.A, Lang, S.
Deposit date:2019-03-21
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Site of Vulnerability on the Influenza Virus Hemagglutinin Head Domain Trimer Interface.
Cell, 177, 2019
6OKX
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BU of 6okx by Molmil
Solution structure of VEK50RH1/AA
Descriptor: Plasminogen-binding group A streptococcal M-like protein PAM
Authors:Yuan, Y, Castellino, F.J.
Deposit date:2019-04-15
Release date:2020-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes.
J.Struct.Biol., 208, 2019
5EUQ
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BU of 5euq by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-11-19
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III beta.
J.Med.Chem., 59, 2016
6OQJ
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BU of 6oqj by Molmil
SOLUTION STRUCTURE OF THE COMPLEX OF MUTANT VEK50[RH1/AA] AND PLASMINOGEN KRINGLE 2
Descriptor: Plasminogen kringle 2, Plasminogen-binding group A streptococcal M-like protein PAM
Authors:Yuan, Y, Castellino, F.J.
Deposit date:2019-04-26
Release date:2019-07-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes.
J.Struct.Biol., 208, 2019
6O9R
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BU of 6o9r by Molmil
The capsid structure of empty AAVrh.10 particles
Descriptor: Capsid protein VP1
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2019-03-14
Release date:2019-12-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8.
J.Virol., 94, 2020
6OKF
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BU of 6okf by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OD6
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BU of 6od6 by Molmil
Structure of BACE-1 in complex with Ligand 13
Descriptor: Beta-secretase 1, GLYCEROL, N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
Authors:Shaffer, P.L.
Deposit date:2019-03-26
Release date:2019-09-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evaluation of a Series of beta-Secretase 1 Inhibitors Containing Novel Heteroaryl-Fused-Piperazine Amidine Warheads.
Acs Med.Chem.Lett., 10, 2019
5H88
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BU of 5h88 by Molmil
Crystal structure of mRojoA mutant - T16V -P63F - W143A - L163V
Descriptor: mRojoA fluorescent protein
Authors:Pandelieva, A.T, Tremblay, V, Sarvan, S, Chica, R.A, Couture, J.-F.
Deposit date:2015-12-23
Release date:2016-01-27
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Brighter Red Fluorescent Proteins by Rational Design of Triple-Decker Motif.
Acs Chem.Biol., 11, 2016
5E7R
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BU of 5e7r by Molmil
Crystal structure of TL10-81 bound to TAK1-TAB1
Descriptor: 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D.
Deposit date:2015-10-13
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
3CCT
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BU of 3cct by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
3CCZ
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BU of 3ccz by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
2EWE
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BU of 2ewe by Molmil
Crystal structure of Pectate Lyase C R218K mutant in complex with pentagalacturonic acid
Descriptor: CALCIUM ION, Pectate lyase C, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
Authors:Scavetta, R.D, Jurnak, F.
Deposit date:2005-11-02
Release date:2005-11-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Plant Cell Wall Fragment Complexed to Pectate Lyase C
Plant Cell, 11, 1999
5E92
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BU of 5e92 by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH AMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TGF-beta receptor type-2
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
3CD5
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BU of 3cd5 by Molmil
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Descriptor: (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION
Authors:Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C.
Deposit date:2008-02-26
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
2F6T
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BU of 2f6t by Molmil
Protein tyrosine phosphatase 1B with sulfamic acid inhibitors
Descriptor: 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R.
Deposit date:2005-11-29
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
3BP7
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BU of 3bp7 by Molmil
The high resolution crystal structure of HLA-B*2709 in complex with a Cathepsin A signal sequence peptide, pCatA
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
Deposit date:2007-12-18
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
5E8S
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BU of 5e8s by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (WT)
Descriptor: TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8Z
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BU of 5e8z by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 3-AMINO-6-[4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE
Descriptor: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
Descriptor: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
Authors:Sack, J.S.
Deposit date:2008-01-11
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
6OSP
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BU of 6osp by Molmil
Crystal Structure Analysis of PIP4K2A
Descriptor: 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-05-01
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Targeting the PI5P4K Lipid Kinase Family in Cancer Using Covalent Inhibitors.
Cell Chem Biol, 27, 2020
6OVH
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BU of 6ovh by Molmil
Cryo-EM structure of Bimetallic dodecameric cage design 3 (BMC3) from cytochrome cb562
Descriptor: ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ...
Authors:Golub, E, Subramanian, R.H, Yan, X, Alberstein, R.G, Tezcan, F.A.
Deposit date:2019-05-07
Release date:2020-01-29
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Constructing protein polyhedra via orthogonal chemical interactions.
Nature, 578, 2020
5EE2
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BU of 5ee2 by Molmil
The crystal structure of the C-terminal beta-barrel of HpuA from Neisseria gonorrhoeae
Descriptor: Hemoglobin-haptoglobin-utilization protein
Authors:Wong, C.T, Hare, S.A.
Deposit date:2015-10-22
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural analysis of haemoglobin binding by HpuA from the Neisseriaceae family.
Nat Commun, 6, 2015
6OKW
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BU of 6okw by Molmil
Solution structure of VEK50
Descriptor: Plasminogen-binding group A streptococcal M-like protein PAM
Authors:Yuan, Y, Castellino, F.J.
Deposit date:2019-04-15
Release date:2020-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcus pyogenes.
J.Struct.Biol., 208, 2019

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數據於2024-09-25公開中

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