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6P9M
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BU of 6p9m by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
5Y03
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BU of 5y03 by Molmil
Galectin-13/Placental Protein 13 variant R53H crystal structure
Descriptor: Galactoside-binding soluble lectin 13
Authors:Wang, Y, Su, J.
Deposit date:2017-07-14
Release date:2018-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138.
Sci Rep, 8, 2018
6PG8
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BU of 6pg8 by Molmil
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
Descriptor: CHLORIDE ION, SULFATE ION, WD repeat-containing protein 5, ...
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG4
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BU of 6pg4 by Molmil
WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
Descriptor: (2-methyl-1H-imidazol-4-yl)methanol, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG9
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BU of 6pg9 by Molmil
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
Descriptor: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
5XZI
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BU of 5xzi by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, AB5
Descriptor: CHLORIDE ION, HEME C, Soluble cytochrome b562, ...
Authors:Song, W.J, Tezcan, F.A.
Deposit date:2017-07-12
Release date:2017-12-20
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Importance of Scaffold Flexibility/Rigidity in the Design and Directed Evolution of Artificial Metallo-beta-lactamases.
J. Am. Chem. Soc., 139, 2017
6PME
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BU of 6pme by Molmil
TRK-A IN COMPLEX WITH LIGAND
Descriptor: High affinity nerve growth factor receptor, N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide, S,R MESO-TARTARIC ACID, ...
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-07-01
Release date:2020-02-26
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
6FHL
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BU of 6fhl by Molmil
Cryo-EM structure of F-actin in complex with ADP-Pi
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Merino, F, Pospich, S, Funk, J, Wagner, T, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S.
Deposit date:2018-01-15
Release date:2018-06-13
Last modified:2018-08-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM.
Nat. Struct. Mol. Biol., 25, 2018
8S32
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BU of 8s32 by Molmil
GroEL with bound GroTAC peptide
Descriptor: Chaperonin GroEL, GroTAC
Authors:Wroblewski, K, Izert-Nowakowska, M.A, Goral, T.K, Klimecka, M.M, Kmiecik, S, Gorna, M.W.
Deposit date:2024-02-19
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Depletion of essential GroEL protein in Escherichia coli using Clp-Interacting Peptidic Protein Erasers (CLIPPERs)
To Be Published
6PAJ
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BU of 6paj by Molmil
Structure of the SrrAB Histidine Kinase DHp-CA domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Sensor protein SrrB
Authors:Lopez Redondo, M.L, Marina Moreno, A.
Deposit date:2019-06-11
Release date:2020-04-22
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The SrrAB two-component system regulatesStaphylococcus aureuspathogenicity through redox sensitive cysteines.
Proc.Natl.Acad.Sci.USA, 117, 2020
6FE8
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BU of 6fe8 by Molmil
Cryo-EM structure of the core Centromere Binding Factor 3 complex
Descriptor: Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, Suppressor of kinetochore protein 1
Authors:Zhang, W.J, Lukoynova, N, Miah, S, Vaughan, C.K.
Deposit date:2017-12-30
Release date:2018-08-01
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Insights into Centromere DNA Bending Revealed by the Cryo-EM Structure of the Core Centromere Binding Factor 3 with Ndc10.
Cell Rep, 24, 2018
6PO0
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BU of 6po0 by Molmil
The structure of the orthorhombic (P212121) crystal form of beef liver catalase at 1.85 A resolution
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:McPherson, A.
Deposit date:2019-07-03
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution
To be published
6PFO
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BU of 6pfo by Molmil
Crystal structure of N-glycosylated human calcitonin receptor extracellular domain in complex with salmon calcitonin (16-32)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcitonin, Maltodextrin-binding protein,Calcitonin receptor, ...
Authors:Lee, S, Pioszak, A.A.
Deposit date:2019-06-21
Release date:2020-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Calcitonin Receptor N-Glycosylation Enhances Peptide Hormone Affinity by Controlling Receptor Dynamics.
J.Mol.Biol., 432, 2020
6PGA
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BU of 6pga by Molmil
WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Descriptor: SULFATE ION, WD repeat-containing protein 5, methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
5YHS
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BU of 5yhs by Molmil
Pyruvylated beta-D-galactosidase from Bacillus sp. HMA207, apo form
Descriptor: Pyruvylated beta-D-galactosidase
Authors:Tanuma, M, Yamada, C, Arakawa, T, Higuchi, Y, Takegawa, K, Fushinobu, S.
Deposit date:2017-09-29
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification and characterization of a novel beta-D-galactosidase that releases pyruvylated galactose.
Sci Rep, 8, 2018
1NYJ
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BU of 1nyj by Molmil
The closed state structure of M2 protein H+ channel by solid state NMR spectroscopy
Descriptor: Matrix protein M2
Authors:Nishimura, K, Kim, S, Zhang, L, Cross, T.A.
Deposit date:2003-02-12
Release date:2003-03-25
Last modified:2024-05-22
Method:SOLID-STATE NMR
Cite:The closed state of a H+ channel helical bundle combining precise orientational and distance restraints from solid state NMR
Biochemistry, 41, 2002
5R0S
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BU of 5r0s by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 06, DMSO-free
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-12
Release date:2020-06-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QZ7
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BU of 5qz7 by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 22
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-02-12
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY3
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BU of 5qy3 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B03a
Descriptor: 2-[(1~{S})-1-azanylpropyl]phenol, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-02-12
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QZK
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BU of 5qzk by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 35
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-02-12
Release date:2020-06-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY2
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BU of 5qy2 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A12b
Descriptor: 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-02-12
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5R00
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BU of 5r00 by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 51
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-02-12
Release date:2020-06-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY4
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BU of 5qy4 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry B08a
Descriptor: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, R-1,2-PROPANEDIOL, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-02-12
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5R0L
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BU of 5r0l by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry H11, DMSO-free
Descriptor: A1 cistron-splicing factor AAR2, N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea, Pre-mRNA-splicing factor 8
Authors:Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
Deposit date:2020-02-12
Release date:2020-06-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5QY6
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BU of 5qy6 by Molmil
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C05a
Descriptor: 2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-02-12
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020

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PDB entries from 2024-09-11

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