6EM2
 
 | | Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with Fasudil | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2017-10-01 | | Release date: | 2018-10-10 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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1K9I
 | | Complex of DC-SIGN and GlcNAc2Man3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, mDC-SIGN1B type I isoform | | Authors: | Feinberg, H, Mitchell, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2001-10-29 | | Release date: | 2001-12-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for selective recognition of oligosaccharides by DC-SIGN and DC-SIGNR.
Science, 294, 2001
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2DNC
 | | Solution Structure of RSGI RUH-054, a lipoyl domain from human 2-oxoacid dehydrogenase | | Descriptor: | Pyruvate dehydrogenase protein X component | | Authors: | Ruhul Momen, A.Z.M, Hirota, H, Hayashi, F, Kurosaki, C, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-04-25 | | Release date: | 2006-10-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of RSGI RUH-054, a lipoyl domain from human 2-oxoacid dehydrogenase
To be published
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4M0L
 | | Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus complexed with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Lazopulo, A.M, Lazopulo, S.M, Garber, M.B, Nikonov, S.V. | | Deposit date: | 2013-08-01 | | Release date: | 2013-08-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2.
Acta Crystallogr.,Sect.D, 70, 2014
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6E8Y
 | | Unliganded Human Glycerol 3-Phosphate Dehydrogenase | | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ... | | Authors: | Mydy, L.S, Gulick, A.M. | | Deposit date: | 2018-07-31 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
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5AN8
 | | Cryo-electron microscopy structure of rabbit TRPV2 ion channel | | Descriptor: | TRPV2 | | Authors: | Zubcevic, L, Herzik, M.A.J, Chung, B.C, Lander, G.C, Lee, S.Y. | | Deposit date: | 2015-09-04 | | Release date: | 2015-12-23 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-Electron Microscopy of the Trpv2 Ion Channel
Nat.Struct.Mol.Biol., 23, 2016
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6ZLN
 | | CLK1 bound with GW807982X (Cpd 8) | | Descriptor: | 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-30 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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4COE
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-01-28 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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4CPW
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[[4-[(3S)-3,4-dihydrothiophen-3-yl]phenyl]methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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4M62
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6Z1A
 | | Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M. | | Deposit date: | 2020-05-13 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds.
Nat Commun, 12, 2021
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6QQE
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6Z2V
 | | CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3) | | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | | Authors: | Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-18 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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4CPX
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis of P1'-functionalized macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary alcohol.
J. Med. Chem., 57, 2014
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4M5Y
 | | Crystal structure of broadly neutralizing Fab 5J8 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Fab 5J8 heavy chain, Fab 5J8 light chain, ... | | Authors: | Lee, P.S, Wilson, I.A. | | Deposit date: | 2013-08-08 | | Release date: | 2013-09-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
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4CP7
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Authors: | deRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-01-31 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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2PAR
 | | Crystal structure of the 5'-deoxynucleotidase YfbR mutant E72A complexed with Co(2+) and TMP | | Descriptor: | 5'-deoxynucleotidase YfbR, COBALT (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zimmerman, M.D, Proudfoot, M, Yakunin, A, Minor, W. | | Deposit date: | 2007-03-27 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli.
J.Mol.Biol., 378, 2008
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4CPR
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-02-08 | | Release date: | 2014-12-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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6KKZ
 | | Crystal structure of the S65T/F99S/M153T/V163A variant of perdeuterated GFP at pD 8.5 | | Descriptor: | Green fluorescent protein | | Authors: | Tai, Y, Takaba, K, Hanazono, Y, Dao, H.A, Miki, K, Takeda, K. | | Deposit date: | 2019-07-28 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | X-ray crystallographic studies on the hydrogen isotope effects of green fluorescent protein at sub-angstrom resolutions
Acta Crystallogr.,Sect.D, 75, 2019
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1KLN
 | | DNA POLYMERASE I KLENOW FRAGMENT (E.C.2.7.7.7) MUTANT/DNA COMPLEX | | Descriptor: | DNA (5'-D(*GP*CP*CP*GP*CP*GP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*CP*GP*CP*GP*GP*CP*GP*GP*C)-3'), PROTEIN (DNA POLYMERASE I KLENOW FRAGMENT (E.C.2.7.7.7)), ... | | Authors: | Beese, L.S, Derbyshire, V, Steitz, T.A. | | Deposit date: | 1994-05-24 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of DNA polymerase I Klenow fragment bound to duplex DNA.
Science, 260, 1993
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1KAT
 | | Solution Structure of a Phage-Derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor | | Descriptor: | Phage-Derived Peptide Antagonist, Vascular Endothelial Growth Factor | | Authors: | Pan, B, Li, B, Russell, S.J, Tom, J.Y.K, Cochran, A.G, Fairbrother, W.J. | | Deposit date: | 2001-11-02 | | Release date: | 2002-11-02 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Phage-derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor
J.Mol.Biol., 316, 2002
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4CVI
 | | Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature | | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2014-03-27 | | Release date: | 2014-07-16 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
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1KCP
 | | 3D STRUCTURE OF K-CONOTOXIN PVIIA, A NOVEL POTASSIUM CHANNEL-BLOCKING TOXIN FROM CONE SNAILS, NMR, 22 STRUCTURES | | Descriptor: | KAPPA-CONOTOXIN PVIIA | | Authors: | Savarin, P, Guenneugues, M, Gilquin, B, Lamthanh, H, Gasparini, S, Zinn-Justin, S, Menez, A. | | Deposit date: | 1998-01-27 | | Release date: | 1998-10-14 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of kappa-conotoxin PVIIA, a novel potassium channel-blocking toxin from cone snails.
Biochemistry, 37, 1998
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5PAB
 | | Crystal Structure of Factor VIIa in complex with 1-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenylurea | | Descriptor: | 1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | | Deposit date: | 2016-11-10 | | Release date: | 2017-06-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structure of a Factor VIIa complex
To be published
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4CTJ
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 3A9 | | Descriptor: | 2,3-dihydro-1-benzofuran-5-carboxylic acid, NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, ... | | Authors: | Barral, K, Bricogne, G, Sharff, A. | | Deposit date: | 2014-03-14 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
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