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8RRQ
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BU of 8rrq by Molmil
Crystal structure of human SYK in complex with compound 24
Descriptor: GLYCEROL, N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide, Tyrosine-protein kinase SYK
Authors:Canevari, G.
Deposit date:2024-01-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
8RRZ
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BU of 8rrz by Molmil
Crystal structure of SYK kinase in complex with compound 1
Descriptor: GLYCEROL, N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide, Tyrosine-protein kinase SYK
Authors:Canevari, G.
Deposit date:2024-01-24
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
8T6C
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BU of 8t6c by Molmil
Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-18.2 : A, T33-18.2 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6E
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BU of 8t6e by Molmil
Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-28.3: A, T33-28.3: B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6N
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BU of 8t6n by Molmil
Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-27.1 : A, T33-27.1 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8RDQ
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BU of 8rdq by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8b
Descriptor: (5S)-3-(2,4-dichlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDT
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BU of 8rdt by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8j
Descriptor: (5~{S})-3-(2,3,4-trimethoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8QIC
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BU of 8qic by Molmil
Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors
Descriptor: 2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid, GLYCEROL, Threonine--tRNA ligase, ...
Authors:Rodriguez, J.A, Parisini, E.
Deposit date:2023-09-13
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors.
Plos One, 19, 2024
8RDP
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BU of 8rdp by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a
Descriptor: (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDR
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BU of 8rdr by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g
Descriptor: (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8RDS
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BU of 8rds by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8i
Descriptor: (5~{S})-3-(2-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ...
Authors:Bischof, L, Hartmann, M.D.
Deposit date:2023-12-08
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode.
Eur.J.Med.Chem., 270, 2024
8X39
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BU of 8x39 by Molmil
Crystal structure of cellulosomal double-dockerin module of Clo1313_0689 from Clostridium thermocellum
Descriptor: CALCIUM ION, Serine protease
Authors:Chen, C, Dong, S, Feng, Y.
Deposit date:2023-11-12
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A cellulosomal double-dockerin module from Clostridium thermocellum shows distinct structural and cohesin-binding features.
Protein Sci., 33, 2024
8X3A
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BU of 8x3a by Molmil
Solution NMR structure of cellulosomal double-dockerin module of Clo1313_0689 from Clostridium thermocellum
Descriptor: CALCIUM ION, Serine protease
Authors:Chen, C, Feng, Y.
Deposit date:2023-11-12
Release date:2024-04-03
Method:SOLUTION NMR
Cite:A cellulosomal double-dockerin module from Clostridium thermocellum shows distinct structural and cohesin-binding features.
Protein Sci., 33, 2024
8OI2
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BU of 8oi2 by Molmil
Crystal structure of Alb1 megabody in complex with human serum albumin
Descriptor: Alb1 Megabody, Albumin
Authors:De Felice, S, Zoia, G, Romanyuk, Z, Pardon, E, Steyaert, J, Angelini, A, Cendron, L.
Deposit date:2023-03-22
Release date:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of human serum albumin in complex with megabody reveals unique human and murine cross-reactive binding site.
Protein Sci., 33, 2024
8KG3
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BU of 8kg3 by Molmil
Structure of THOUSAND-GRAIN WEIGHT 6 (TGW6)
Descriptor: Os06g0623700 protein
Authors:Akabane, T, Suzuki, N, Matsumura, H, Yoshizawa, T, Tsuchiya, W, Katoh, E, Hirotsu, N.
Deposit date:2023-08-17
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:THOUSAND-GRAIN WEIGHT 6, which is an IAA-glucose hydrolase, preferentially recognizes the structure of the indole ring.
Sci Rep, 14, 2024
8SWL
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BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
Descriptor: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2023-05-19
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024
8JJC
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BU of 8jjc by Molmil
Tubulin-Y62
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ...
Authors:Yang, J.
Deposit date:2023-05-30
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
8JJB
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BU of 8jjb by Molmil
Crystal structure of T2R-TTL-Y61 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Yang, J.
Deposit date:2023-05-30
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
8Q3X
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BU of 8q3x by Molmil
Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Kaposi Sarcoma Associated Herpesvirus LANA Peptide-Au[I] Compound)
Descriptor: 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ...
Authors:De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
Deposit date:2023-08-04
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q3E
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BU of 8q3e by Molmil
High Resolution Structure of Nucleosome Core with Bound Foamy Virus GAG Peptide
Descriptor: DNA (145-MER), GLY-GLY-TYR-ASN-LEU-ARG-PRO-ARG-THR-TYR-GLN-PRO-GLN-ARG-TYR-GLY-GLY-GLY, Histone H2A type 1-B/E, ...
Authors:De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
Deposit date:2023-08-04
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q3M
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BU of 8q3m by Molmil
Structure of Nucleosome Core with a Bound Kaposi Sarcoma Associated Herpesvirus LANA Peptide Having a Methionine to Ornithine Substitution
Descriptor: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
Authors:De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
Deposit date:2023-08-04
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8Q36
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BU of 8q36 by Molmil
Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Foamy Virus GAG Peptide-Au[I] Compound)
Descriptor: DNA (145-MER), GAG structural protein, Histone H2A type 1-B/E, ...
Authors:De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A.
Deposit date:2023-08-03
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
8FG6
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BU of 8fg6 by Molmil
Design of amyloidogenic peptide traps
Descriptor: C104.1, amyloidogenic peptide
Authors:Sahtoe, D.D, Bera, A.K, Baker, D.
Deposit date:2022-12-12
Release date:2024-03-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of amyloidogenic peptide traps.
Nat.Chem.Biol., 2024
8EVD
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BU of 8evd by Molmil
Crystal Structure of Nanobody VHH101 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH101
Authors:Simard, A.R, Taher, N.M, Beauchemin, K.S, Madden, D.R.
Deposit date:2022-10-20
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Nanobody VHH101 Bound to Its Antigen PA14 Cif
To Be Published
8F6U
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BU of 8f6u by Molmil
Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH113
Authors:Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R.
Deposit date:2022-11-17
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published

218853

PDB entries from 2024-04-24

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