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7W8O
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BU of 7w8o by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-a
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
6JK8
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BU of 6jk8 by Molmil
Cryo-EM structure of the full-length human IGF-1R in complex with insulin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ...
Authors:Zhang, X, Yu, D, Wang, T.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
7M97
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BU of 7m97 by Molmil
Crystal structure of the bromodomain from Plasmodium falciparum bromodomain protein 1
Descriptor: Bromodomain protein 1
Authors:Glass, K.C.
Deposit date:2021-03-30
Release date:2021-05-26
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into acetylated histone ligand recognition by the BDP1 bromodomain of Plasmodium falciparum.
Int.J.Biol.Macromol., 223, 2022
7W96
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BU of 7w96 by Molmil
Solution structures of a disulfide-rich peptide that can bind KEAP1
Descriptor: drp6
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-09
Release date:2022-11-09
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
6JDW
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BU of 6jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH GAMMA-AMINO BUTYRIC ACID
Descriptor: GAMMA-AMINO-BUTANOIC ACID, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
Authors:Fritsche, E, Humm, A, Huber, R.
Deposit date:1998-10-12
Release date:1999-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
7WEI
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BU of 7wei by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: drp8I
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-23
Release date:2022-11-09
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7WE3
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BU of 7we3 by Molmil
Solution structures of a disulfide-rich peptide that can bind CD28
Descriptor: DRP8II
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-22
Release date:2022-11-09
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
6G0H
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BU of 6g0h by Molmil
BRD4 (BD1) in complex with APSC-derived ligands (e.g. SSLH01 a sulfasalazine derivate)
Descriptor: 1,2-ETHANEDIOL, 4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid, Bromodomain-containing protein 4, ...
Authors:Humbeck, L, Pretzel, J.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
1LZO
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BU of 1lzo by Molmil
Plasmodium Falciparum Triosephosphate Isomerase-Phosphoglycolate Complex
Descriptor: 2-PHOSPHOGLYCOLIC ACID, Triosephosphate Isomerase
Authors:Parthasarathy, S, Balaram, H, Balaram, P, Murthy, M.R.
Deposit date:2002-06-11
Release date:2003-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Plasmodium falciparum triosephosphate isomerase-phosphoglycolate complex in two crystal forms: characterization of catalytic loop open and closed conformations in the ligand-bound state
Biochemistry, 41, 2002
8GXB
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BU of 8gxb by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NAD+
Descriptor: MAGNESIUM ION, NAD+ II riboswitch, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Xu, X.C, Ren, A.M.
Deposit date:2022-09-19
Release date:2023-01-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
8GXC
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BU of 8gxc by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NMN
Descriptor: 61-mer RNA, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, X.C, Ren, A.M.
Deposit date:2022-09-19
Release date:2023-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
1A6G
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BU of 1a6g by Molmil
CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I.
Deposit date:1998-02-25
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
6G0E
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BU of 6g0e by Molmil
BRD4 (BD1) in complex with APSC-derived ligands
Descriptor: 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one, Bromodomain-containing protein 4, FORMIC ACID, ...
Authors:Pretzel, J, Humbeck, L.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
6G0G
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BU of 6g0g by Molmil
BRD4 (BD1) in complex with APSC-derived ligands (e.g. sulfasalazine)
Descriptor: 1,2-ETHANEDIOL, 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, Bromodomain-containing protein 4, ...
Authors:Humbeck, L, Pretzel, J.
Deposit date:2018-03-18
Release date:2020-01-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma
Chemrxiv, 2019
3G23
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BU of 3g23 by Molmil
Crystal structure of a ld-carboxypeptidase a (saro_1426) from novosphingobium aromaticivorans dsm at 1.89 A resolution
Descriptor: GLYCEROL, LD-carboxypeptidase A, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-01-30
Release date:2009-02-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure and function of a novel LD-carboxypeptidase a involved in peptidoglycan recycling.
J.Bacteriol., 195, 2013
7VH0
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BU of 7vh0 by Molmil
MT2-remalteon-Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, Melatonin receptor type 1B, ...
Authors:Wang, Q.G, Lu, Q.Y.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis of the ligand binding and signaling mechanism of melatonin receptors.
Nat Commun, 13, 2022
7VGY
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BU of 7vgy by Molmil
Melatonin receptor1-2-Iodomelatonin-Gicomplex
Descriptor: CHOLESTEROL, 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:Wang, Q.G, Lu, Q.Y.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of the ligand binding and signaling mechanism of melatonin receptors.
Nat Commun, 13, 2022
7VGZ
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BU of 7vgz by Molmil
MT1-remalteon-Gi complex
Descriptor: CHOLESTEROL, 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:Wang, Q.G, Lu, Q.Y.
Deposit date:2021-09-20
Release date:2022-03-02
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of the ligand binding and signaling mechanism of melatonin receptors.
Nat Commun, 13, 2022
1CF0
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BU of 1cf0 by Molmil
HUMAN PLATELET PROFILIN COMPLEXED WITH AN L-PRO10-IODOTYROSINE PEPTIDE
Descriptor: PROTEIN (L-PRO10-IODOTYROSINE), PROTEIN (PROFILIN)
Authors:Rozwarski, D.A, Mahoney, N.M, Almo, S.C.
Deposit date:1999-03-23
Release date:1999-07-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Profilin binds proline-rich ligands in two distinct amide backbone orientations.
Nat.Struct.Biol., 6, 1999
6NMO
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BU of 6nmo by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4.
To be Published
4GVC
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BU of 4gvc by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with phosphorylated Syndecan1 Peptide
Descriptor: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), CHLORIDE ION, SODIUM ION, ...
Authors:Liu, X, Shepherd, T.R, Murray, A.M, Xu, Z, Fuentes, E.J.
Deposit date:2012-08-30
Release date:2013-03-13
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The structure of the Tiam1 PDZ domain/ phospho-syndecan1 complex reveals a ligand conformation that modulates protein dynamics.
Structure, 21, 2013
7AOT
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BU of 7aot by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
Descriptor: (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
Deposit date:2020-10-15
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
4YMB
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BU of 4ymb by Molmil
Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111
Descriptor: (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K.
Deposit date:2015-03-06
Release date:2015-08-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
7YPU
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BU of 7ypu by Molmil
OrfE-CoA-glycylthricin complex
Descriptor: Acetyltransferase, COENZYME A, [(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(~{E})-[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-3,3~{a},5,6,7,7~{a}-hexahydro-1~{H}-imidazo[4,5-c]pyridin-2-ylidene]amino]-5-(2-azanylethanoylamino)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-08-04
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
6NFJ
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BU of 6nfj by Molmil
Structure of Beta-Klotho in Complex with FGF19 C-terminal peptide
Descriptor: Beta-klotho, Fibroblast growth factor 19, Nanobody 30
Authors:Kuzina, E, Schlessinger, J, Lee, S.
Deposit date:2018-12-20
Release date:2019-04-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structures of ligand-occupied beta-Klotho complexes reveal a molecular mechanism underlying endocrine FGF specificity and activity.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

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