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3QJ9
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BU of 3qj9 by Molmil
Crystal structure of fatty acid amide hydrolase with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one, Fatty-acid amide hydrolase 1, ...
Authors:Min, X, Walker, N.P.C, Wang, Z.
Deposit date:2011-01-28
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH).
Proc.Natl.Acad.Sci.USA, 108, 2011
4O8U
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BU of 4o8u by Molmil
Structure of PF2046
Descriptor: Uncharacterized protein PF2046
Authors:Su, J, Liu, Z.-J.
Deposit date:2013-12-30
Release date:2014-04-30
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:Crystal structure of a novel non-Pfam protein PF2046 solved using low resolution B-factor sharpening and multi-crystal averaging methods
Protein Cell, 1, 2010
4PMS
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BU of 4pms by Molmil
The structure of TrkA kinase bound to the inhibitor 4-naphthalen-1-yl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
Descriptor: 4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
3RQ4
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BU of 3rq4 by Molmil
Crystal structure of suppressor of variegation 4-20 homolog 2
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SUV420H2, S-ADENOSYLMETHIONINE, ...
Authors:Dong, A, Zeng, H, Tempel, W, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-04-27
Release date:2011-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2.
Febs Lett., 587, 2013
4PZI
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BU of 4pzi by Molmil
Zinc finger region of MLL2 in complex with CpG DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Histone-lysine N-methyltransferase 2B, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Liu, K, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-03-31
Release date:2014-06-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
7X1U
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BU of 7x1u by Molmil
Structure of Thyrotropin-Releasing Hormone Receptor bound with an Endogenous Peptide Agonist TRH.
Descriptor: Endogenous Peptide Agonist TRH, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, F, Zhang, H.H, Meng, X.Y, Li, Y.G, Zhou, Y.X, Ling, S.L, Liu, L, Shi, P, Tian, C.L.
Deposit date:2022-02-24
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural insights into thyrotropin-releasing hormone receptor activation by an endogenous peptide agonist or its orally administered analogue.
Cell Res., 32, 2022
7XAT
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BU of 7xat by Molmil
Structure of somatostatin receptor 2 bound with SST14.
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Bo, Q, Yang, F, Li, Y.G, Meng, X.Y, Zhang, H.H, Zhou, Y.X, Ling, S.L, Sun, D.M, Lv, P, Liu, L, Shi, P, Tian, C.L.
Deposit date:2022-03-19
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural insights into the activation of somatostatin receptor 2 by cyclic SST analogues.
Cell Discov, 8, 2022
7XAU
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BU of 7xau by Molmil
Structure of somatostatin receptor 2 bound with octreotide.
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Bo, Q, Yang, F, Li, Y.G, Meng, X.Y, Zhang, H.H, Zhou, Y.X, Ling, S.L, Sun, D.M, Lv, P, Liu, L, Shi, P, Tian, C.L.
Deposit date:2022-03-19
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structural insights into the activation of somatostatin receptor 2 by cyclic SST analogues.
Cell Discov, 8, 2022
7XAV
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BU of 7xav by Molmil
Structure of somatostatin receptor 2 bound with lanreotide.
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Bo, Q, Yang, F, Li, Y.G, Meng, X.Y, Zhang, H.H, Zhou, Y.X, Ling, S.L, Sun, D.M, Lv, P, Liu, L, Shi, P, Tian, C.L.
Deposit date:2022-03-19
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural insights into the activation of somatostatin receptor 2 by cyclic SST analogues.
Cell Discov, 8, 2022
7X1T
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BU of 7x1t by Molmil
Structure of Thyrotropin-Releasing Hormone Receptor bound with Taltirelin.
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ScFv16, ...
Authors:Yang, F, Zhang, H.H, Meng, X.Y, Li, Y.G, Zhou, Y.X, Ling, S.L, Liu, L, Shi, P, Tian, C.L.
Deposit date:2022-02-24
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural insights into thyrotropin-releasing hormone receptor activation by an endogenous peptide agonist or its orally administered analogue.
Cell Res., 32, 2022
8JC5
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BU of 8jc5 by Molmil
Crystal structure of PLEKHM1 RUN domain in complex with GTP-bound Arl8b(Q75L)
Descriptor: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Qiu, X.H, Pan, L.F.
Deposit date:2023-05-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Mechanistic Insights into the Interactions of Arl8b with the RUN Domains of PLEKHM1 and SKIP.
J.Mol.Biol., 435, 2023
8JCA
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BU of 8jca by Molmil
Cyrstal structure of SKIP RUN domain in complex with GTP-bound Arl8b(Q75L)
Descriptor: ADP-ribosylation factor-like protein 8B, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Qiu, X.H, Pan, L.F.
Deposit date:2023-05-10
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanistic Insights into the Interactions of Arl8b with the RUN Domains of PLEKHM1 and SKIP.
J.Mol.Biol., 435, 2023
2E6Y
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BU of 2e6y by Molmil
Covalent complex of orotidine 5'-monophosphate decarboxylase (ODCase) with 6-Iodo-UMP
Descriptor: GLYCEROL, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Fujihashi, M, Bello, A.M, Kotra, L.P, Pai, E.F.
Deposit date:2007-01-05
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Potent, Covalent Inhibitor of Orotidine 5'-Monophosphate Decarboxylase with Antimalarial Activity.
J.Med.Chem., 50, 2007
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2020-05-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
7UCC
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BU of 7ucc by Molmil
Transcription factor FosB/JunD bZIP domain in the reduced form
Descriptor: CHLORIDE ION, ETHANOL, Protein fosB, ...
Authors:Kumar, A, Machius, M.C, Rudenko, G.
Deposit date:2022-03-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
7UCD
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BU of 7ucd by Molmil
Transcription factor FosB/JunD bZIP domain covalently modified with the cysteine-targeting alpha-haloketone compound Z2159931480
Descriptor: 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one, CHLORIDE ION, Protein fosB, ...
Authors:Kumar, A, Machius, M.C, Rudenko, G.
Deposit date:2022-03-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Chemically targeting the redox switch in AP1 transcription factor Delta FOSB.
Nucleic Acids Res., 50, 2022
5GPI
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BU of 5gpi by Molmil
Crystal Structures of Unlinked NS2B-NS3 Protease from Zika Virus and Its Complex with a Reverse Peptide Inhibitor
Descriptor: NS2B cofactor, NS3 protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2016-08-02
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.578 Å)
Cite:Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
7DSC
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BU of 7dsc by Molmil
CALHM1 open state with disordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
7DSD
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BU of 7dsd by Molmil
CALHM1 close state with disordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
7DSE
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BU of 7dse by Molmil
CALHM1 close state with ordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
4PMP
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BU of 4pmp by Molmil
The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
Descriptor: 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4PMM
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BU of 4pmm by Molmil
The structure of TrkA kinase bound to the inhibitor N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
2FNI
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BU of 2fni by Molmil
PseC aminotransferase involved in pseudoaminic acid biosynthesis
Descriptor: PYRIDOXAL-5'-PHOSPHATE, aminotransferase
Authors:Cygler, M, Matte, A, Lunin, V.V, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-11
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Characterization of PseC, an Aminotransferase Involved in the Biosynthesis of Pseudaminic Acid, an Essential Flagellar Modification in Helicobacter pylori
J.Biol.Chem., 281, 2006
2FNU
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BU of 2fnu by Molmil
PseC aminotransferase with external aldimine
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, aminotransferase
Authors:Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-11
Release date:2006-01-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Functional Characterization of PseC, an Aminotransferase Involved in the Biosynthesis of Pseudaminic Acid, an Essential Flagellar Modification in Helicobacter pylori
J.Biol.Chem., 281, 2006
2FN6
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BU of 2fn6 by Molmil
Helicobacter pylori PseC, aminotransferase involved in the biosynthesis of pseudoaminic acid
Descriptor: AMINOTRANSFERASE, PHOSPHATE ION
Authors:Cygler, M, Lunin, V.V, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-10
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Structural and Functional Characterization of PseC, an Aminotransferase Involved in the Biosynthesis of Pseudaminic Acid, an Essential Flagellar Modification in Helicobacter pylori
J.Biol.Chem., 281, 2006

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