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1P2O
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BU of 1p2o by Molmil
Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin
Descriptor: Chymotrypsinogen A, Pancreatic trypsin inhibitor, SULFATE ION
Authors:Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O.
Deposit date:2003-04-15
Release date:2004-04-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin.
J.Mol.Biol., 333, 2003
1P2M
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BU of 1p2m by Molmil
Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin
Descriptor: Chymotrypsinogen A, Pancreatic trypsin inhibitor, SULFATE ION
Authors:Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O.
Deposit date:2003-04-15
Release date:2004-04-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin.
J.Mol.Biol., 333, 2003
1P2K
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BU of 1p2k by Molmil
Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin
Descriptor: CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ...
Authors:Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O.
Deposit date:2003-04-15
Release date:2004-04-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin.
J.Mol.Biol., 333, 2003
1P2Q
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BU of 1p2q by Molmil
Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chymotrypsinogen A, Pancreatic trypsin inhibitor, ...
Authors:Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O.
Deposit date:2003-04-15
Release date:2004-04-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin.
J.Mol.Biol., 333, 2003
2K37
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BU of 2k37 by Molmil
CsmA
Descriptor: Chlorosome Protein A
Authors:Pedersen, M, Dittmer, J, Underhaug, J, Miller, M, Nielsen, N.C.
Deposit date:2008-04-23
Release date:2008-09-02
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:The three-dimensional structure of CsmA: A small antenna protein from the green sulfur bacterium Chlorobium tepidum.
Febs Lett., 582, 2008
3DN5
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BU of 3dn5 by Molmil
Aldose Reductase in complex with novel biarylic inhibitor
Descriptor: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Steuber, H, Klebe, G.
Deposit date:2008-07-01
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization of Aldose Reductase Inhibitors Originating from Virtual Screening
Chemmedchem, 4, 2009
2POX
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BU of 2pox by Molmil
Dark state structure of the reversibly switchable fluorescent protein Dronpa
Descriptor: Fluorescent protein Dronpa
Authors:Trowitzsch, S, Weber, G, Wahl, M.C.
Deposit date:2007-04-27
Release date:2007-07-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Structural basis for reversible photoswitching in Dronpa
Proc.Natl.Acad.Sci.Usa, 104, 2007
6MD9
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BU of 6md9 by Molmil
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
Descriptor: 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDA
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BU of 6mda by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
Descriptor: 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MD7
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BU of 6md7 by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7
Descriptor: 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6YO6
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BU of 6yo6 by Molmil
Structure of iC3b1
Descriptor: hC3Nb1, iC3b1 alpha chain, iC3b1 beta chain
Authors:Jensen, R.K, Andersen, G.R.
Deposit date:2020-04-14
Release date:2021-02-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (6 Å)
Cite:Complement Receptor 3 Forms a Compact High-Affinity Complex with iC3b.
J Immunol., 206, 2021
7P2D
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BU of 7p2d by Molmil
Structure of alphaMbeta2/Cd11bCD18 headpiece in complex with a nanobody
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:Jensen, R.K, Andersen, G.R.
Deposit date:2021-07-05
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into the function-modulating effects of nanobody binding to the integrin receptor alpha M beta 2.
J.Biol.Chem., 298, 2022
6ZFM
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BU of 6zfm by Molmil
Structure of alpha-Cobratoxin with a peptide inhibitor
Descriptor: 3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol, Alpha-cobratoxin, PENTAETHYLENE GLYCOL, ...
Authors:Kiontke, S, Kummel, D.
Deposit date:2020-06-17
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Peptide Inhibitors of the alpha-Cobratoxin-Nicotinic Acetylcholine Receptor Interaction.
J.Med.Chem., 63, 2020
3G6W
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BU of 3g6w by Molmil
Asymetric GTP bound structure of UPRTase from Sulfolobus solfataricus containing PRPP-mg2+ in half of the active sites and R5P and PPi in the other half
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 5-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Kadziola, A, Christoffersen, S.
Deposit date:2009-02-09
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and kinetic studies of the allosteric transition in Sulfolobus solfataricus uracil phosphoribosyltransferase: Permanent activation by engineering of the C-terminus
J.Mol.Biol., 393, 2009
6TM0
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BU of 6tm0 by Molmil
N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL
Descriptor: Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J.
Deposit date:2019-12-03
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
4UX9
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BU of 4ux9 by Molmil
Crystal structure of JNK1 bound to a MKK7 docking motif
Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M.
Deposit date:2014-08-20
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
8BHD
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BU of 8bhd by Molmil
N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure)
Descriptor: GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ...
Authors:Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C.
Deposit date:2022-10-31
Release date:2023-01-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes.
Protein Sci., 32, 2023
7ROY
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BU of 7roy by Molmil
The structure of the Fem1B:FNIP1 complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Folliculin-interacting protein 1, Protein fem-1 homolog B, ...
Authors:Gee, C.L, Mena, E.L, Manford, A.G, Rape, M.
Deposit date:2021-08-02
Release date:2021-10-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis and regulation of the reductive stress response.
Cell, 184, 2021
4EMV
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BU of 4emv by Molmil
Crystal structure of a topoisomerase ATP inhibitor
Descriptor: 5-{2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl}pyridine-3-carboxylic acid, DNA topoisomerase IV, B subunit
Authors:Boriack-Sjodin, P.A, Manchester, J, Hull, K.
Deposit date:2012-04-12
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.
Bioorg.Med.Chem.Lett., 22, 2012
6DCW
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BU of 6dcw by Molmil
Crystal structure of human anti-tau antibody CBTAU-27.1 Fab in complex with a human tau peptide
Descriptor: Heavy chain of CBTAU27.1 Fab, Light chain of CBTAU27.1 Fab, tau peptide
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2018-05-08
Release date:2018-06-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
3TH5
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BU of 3th5 by Molmil
Crystal structure of wild-type RAC1
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2011-08-18
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
5W6W
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BU of 5w6w by Molmil
Designing Higher Resolution Self-Assembled 3D DNA Crystals via Strand Terminus Modifications
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
Authors:Hernandez, C, Birktoft, J.J, Seeman, N.C.
Deposit date:2017-06-17
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Designing Higher Resolution Self-Assembled 3D DNA Crystals via Strand Terminus Modifications
To Be Published
3T3M
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BU of 3t3m by Molmil
A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS
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:Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2011-07-25
Release date:2012-03-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
2E0O
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BU of 2e0o by Molmil
Mutant Human Ribonuclease 1 (V52L, D53L, N56L, F59L)
Descriptor: GLYCEROL, Ribonuclease, SULFATE ION
Authors:Yamada, H, Tamada, T, Kosaka, M, Kuroki, R.
Deposit date:2006-10-10
Release date:2007-08-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines
Protein Sci., 16, 2007
2E0L
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BU of 2e0l by Molmil
Mutant Human Ribonuclease 1 (Q28L, R31L, R32L)
Descriptor: CADMIUM ION, CHLORIDE ION, Ribonuclease
Authors:Yamada, H, Tamada, T, Kosaka, M, Kuroki, R.
Deposit date:2006-10-10
Release date:2007-08-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines
Protein Sci., 16, 2007

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数据于2024-07-31公开中

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