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7C7W
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BU of 7c7w by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
Descriptor: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Masuno, H, Numoto, N, Kagechika, H, Ito, N.
Deposit date:2020-05-26
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021
4Y1C
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BU of 4y1c by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
Descriptor: CADMIUM ION, Cyclic hexapeptide cyc[NdPopPKID], Integrase, ...
Authors:Wielens, J, Chalmers, D.K.
Deposit date:2015-02-07
Release date:2015-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
1CT2
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BU of 1ct2 by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB
Descriptor: OVOMUCOID INHIBITOR, PROTEINASE B
Authors:Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.
Deposit date:1999-08-18
Release date:2000-01-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
6O5L
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BU of 6o5l by Molmil
Crystal structure of PprA filament from Deinococcus peraridilitoris
Descriptor: PprA
Authors:Szabla, R, Junop, M.S, Rok, M.
Deposit date:2019-03-04
Release date:2019-03-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of PprA filament from Deinococcus peraridilitoris
To Be Published
4Y1D
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BU of 4y1d by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
Descriptor: CADMIUM ION, CHLORIDE ION, Cyclic hexapeptide cyc[NdPopPKID], ...
Authors:Wielens, J, Chalmers, D.K.
Deposit date:2015-02-07
Release date:2015-05-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
6L37
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BU of 6l37 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-10-09
Release date:2020-11-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6WNZ
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BU of 6wnz by Molmil
Structure of a dimer of the Sulfolobus solfataricus MCM N-terminal domain reveals potential role in MCM ring opening
Descriptor: Minichromosome maintenance protein MCM, ZINC ION
Authors:Meagher, M, Spence, M.N, Enemark, E.J.
Deposit date:2020-04-23
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a dimer of the Sulfolobus solfataricus MCM N-terminal domain reveals a potential role in MCM ring opening
Acta Crystallogr.,Sect.F, 77, 2021
6L8B
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BU of 6l8b by Molmil
The ligand-free structure of human PPARgamma LBD
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Jang, D.M, Han, B.W.
Deposit date:2019-11-05
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma.
Biomolecules, 10, 2020
5JL4
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BU of 5jl4 by Molmil
Inhibitor resistant mutant catalytic core domain of HIV-1 Integrase
Descriptor: Integrase, SULFATE ION
Authors:Feng, L, Kobe, M, Kvaratskhelia, M.
Deposit date:2016-04-26
Release date:2017-10-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Resistance to pyridine-based inhibitor KF116 reveals an unexpected role of integrase in HIV-1 Gag-Pol polyprotein proteolytic processing.
J. Biol. Chem., 292, 2017
6L6K
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BU of 6l6k by Molmil
Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
Descriptor: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ...
Authors:Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N.
Deposit date:2019-10-29
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1
To Be Published
6BG6
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BU of 6bg6 by Molmil
Crystal structure of S111A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2017-10-27
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 57, 2018
1CKI
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BU of 1cki by Molmil
RECOMBINANT CASEIN KINASE I DELTA TRUNCATION MUTANT CONTAINING RESIDUES 1-317
Descriptor: CASEIN KINASE I DELTA
Authors:Longenecker, K.L, Roach, P.J, Hurley, T.D.
Deposit date:1995-08-25
Release date:1995-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structure of mammalian casein kinase I: molecular basis for phosphate recognition.
J.Mol.Biol., 257, 1996
6OXB
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BU of 6oxb by Molmil
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Descriptor: CHLORIDE ION, Protein polybromo-1, SULFATE ION
Authors:Petojevic, T, Holliday, M.J, Fairbrother, W.J, Cochran, A.G.
Deposit date:2019-05-13
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Polyvalent nucleosome recognition by Polybromo-1 anchors chromatin remodeling
To Be Published
6OYB
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BU of 6oyb by Molmil
Crystal structure of H62G mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
1D1D
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BU of 1d1d by Molmil
NMR SOLUTION STRUCTURE OF THE CAPSID PROTEIN FROM ROUS SARCOMA VIRUS
Descriptor: PROTEIN (CAPSID PROTEIN)
Authors:Campos-Olivas, R, Newman, J.L, Summers, M.F.
Deposit date:1999-09-15
Release date:1999-12-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and dynamics of the Rous sarcoma virus capsid protein and comparison with capsid proteins of other retroviruses.
J.Mol.Biol., 296, 2000
6OYE
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BU of 6oye by Molmil
Crystal structure of Y99F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6L36
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BU of 6l36 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-10-09
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6B1K
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BU of 6b1k by Molmil
Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (3a)
Descriptor: 2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:Krimmer, S.G, Robertson, M.J, Jorgensen, W.L.
Deposit date:2017-09-18
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8, 2017
1D3W
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BU of 1d3w by Molmil
Crystal structure of ferredoxin 1 d15e mutant from azotobacter vinelandii at 1.7 angstrom resolution.
Descriptor: FE3-S4 CLUSTER, FERREDOXIN 1, IRON/SULFUR CLUSTER
Authors:Chen, K, Hirst, J, Camba, R, Bonagura, C.A, Stout, C.D, Burges, B.K, Armstrong, F.A.
Deposit date:1999-10-01
Release date:1999-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Atomically defined mechanism for proton transfer to a buried redox centre in a protein.
Nature, 405, 2000
6LB4
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BU of 6lb4 by Molmil
Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
Descriptor: 1,2-ETHANEDIOL, 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, ...
Authors:Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
Deposit date:2019-11-13
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator
To Be Published
6EN4
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BU of 6en4 by Molmil
SF3b core in complex with a splicing modulator
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2017-10-04
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structural Basis of Splicing Modulation by Antitumor Macrolide Compounds.
Mol. Cell, 70, 2018
6L38
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BU of 6l38 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2019-10-09
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.761 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
1CHC
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BU of 1chc by Molmil
STRUCTURE OF THE C3HC4 DOMAIN BY 1H-NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; A NEW STRUCTURAL CLASS OF ZINC-FINGER
Descriptor: EQUINE HERPES VIRUS-1 RING DOMAIN, ZINC ION
Authors:Barlow, P.N, Everett, R.D, Luisi, B.
Deposit date:1994-02-02
Release date:1994-04-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the C3HC4 domain by 1H-nuclear magnetic resonance spectroscopy. A new structural class of zinc-finger.
J.Mol.Biol., 237, 1994
1QFI
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BU of 1qfi by Molmil
SYNTHESIS AND STRUCTURE OF PROLINE RING MODIFIED ACTINOMYCINS OF X TYPE
Descriptor: ACTINOMYCIN X2, ETHYL ACETATE, METHANOL
Authors:Lifferth, A, Bahner, I, Lackner, H, Schaefer, M.
Deposit date:1999-04-12
Release date:2003-07-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Synthesis and Structure of Proline Ring Modified Actinomycins of the X-Type
Z.Naturforsch., 54, 1999
6LB6
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BU of 6lb6 by Molmil
Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator
Descriptor: 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N.
Deposit date:2019-11-13
Release date:2020-11-18
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the full and partial agonist activities of retinoid X receptor alpha ligands with an iso-butoxy and an isopropyl group
Biochem.Biophys.Res.Commun., 734, 2024

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