4RWC
 
 | | Racemic M2-TM crystallized from racemic detergent | | Descriptor: | Matrix protein 2, octyl beta-D-glucopyranoside | | Authors: | Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T. | | Deposit date: | 2014-12-02 | | Release date: | 2015-10-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | High-resolution structures of a heterochiral coiled coil.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4TX5
 | | Crystal structure of Smac-DIABLO (in space group P65) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Diablo homolog, ... | | Authors: | Milani, M, Mastangelo, E, Cossu, F. | | Deposit date: | 2014-07-02 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The activator of apoptosis Smac-DIABLO acts as a tetramer in solution.
Biophys.J., 108, 2015
|
|
4U8C
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409 | | Descriptor: | 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
|
|
4TW3
 | | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | | Descriptor: | 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ... | | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | | Deposit date: | 2014-06-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
|
|
4TWI
 | | The structure of Sir2Af1 bound to a succinylated histone peptide | | Descriptor: | GLYCEROL, NAD-dependent protein deacylase 1, Succinylated H4 Peptide (aa8-20), ... | | Authors: | Ringel, A.E, Roman, C, Wolberger, C. | | Deposit date: | 2014-06-30 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Alternate deacylating specificities of the archaeal sirtuins Sir2Af1 and Sir2Af2.
Protein Sci., 23, 2014
|
|
4U8B
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1358 | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
|
|
4U2S
 | |
8C7U
 | |
4UCK
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYLMETHIONINE, ZINC ION | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-03 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
|
|
4UCZ
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | GUANOSINE, GUANOSINE-5'-TRIPHOSPHATE, RNA-DIRECTED RNA POLYMERASE L, ... | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
|
|
4U8A
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503 | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
|
|
4TW1
 | | Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH | | Descriptor: | Possible leukocidin subunit | | Authors: | Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E. | | Deposit date: | 2014-06-29 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH.
J.Biol.Chem., 290, 2015
|
|
4U82
 | | Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | | Descriptor: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-07-31 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
|
|
4U6S
 | | CtBP1 in complex with substrate phenylpyruvate | | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
|
|
4U2L
 | | Dithionite reduced cholesterol in complex with sulfite | | Descriptor: | (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID, Cholesterol oxidase, SULFATE ION | | Authors: | Golden, E.A, Vrielink, A. | | Deposit date: | 2014-07-17 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.337 Å) | | Cite: | High-resolution structures of cholesterol oxidase in the reduced state provide insights into redox stabilization.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
4U6T
 | | Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney disease-like domain 2a at 1.76 Angstrom resolution | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ColH protein | | Authors: | Bauer, R, Janowska, K, Sakon, J, Matsushita, O, Latimer, E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4UFF
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide | | Descriptor: | (2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
|
|
4U6Q
 | | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
|
|
4UD0
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-11-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
|
|
4UFD
 | | Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
|
|
4UFG
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-17 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
|
|
4UCL
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-03 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
|
|
4UCY
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
|
|
4UFE
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide | | Descriptor: | (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.593 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
|
|
4UCJ
 | | X-ray structure and activities of an essential Mononegavirales L- protein domain | | Descriptor: | RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION | | Authors: | Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M. | | Deposit date: | 2014-12-03 | | Release date: | 2015-11-18 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
|
|
