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1TFC
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BU of 1tfc by Molmil
CRYSTAL STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE ESTROGEN-RELATED RECEPTOR GAMMA IN COMPLEX WITH A STEROID RECEPTOR COACTIVATOR-1 PEPTIDE
Descriptor: Estrogen-related receptor gamma, steroid receptor coactivator-1
Authors:Greschik, H, Flaig, R, Renaud, J.P, Moras, D.
Deposit date:2004-05-27
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for the Deactivation of the Estrogen-related Receptor {gamma} by Diethylstilbestrol or 4-Hydroxytamoxifen and Determinants of Selectivity.
J.Biol.Chem., 279, 2004
6A73
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BU of 6a73 by Molmil
Complex structure of CSN2 with IP6
Descriptor: COP9 signalosome complex subunit 2,Endolysin, INOSITOL HEXAKISPHOSPHATE, SULFATE ION
Authors:Liu, L, Li, D, Rao, F, Wang, T.
Deposit date:2018-07-02
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Basis for metabolite-dependent Cullin-RING ligase deneddylation by the COP9 signalosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
4Q9K
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BU of 4q9k by Molmil
P-glycoprotein cocrystallised with QZ-Leu
Descriptor: (30F)L(30F)L(30F)L Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
1H4N
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BU of 1h4n by Molmil
H94N CARBONIC ANHYDRASE II COMPLEXED WITH TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
4IB8
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BU of 4ib8 by Molmil
Bovine beta-lactoglobulin (isoform A) in complex with dodecyl sulphate (SDS)
Descriptor: DODECYL SULFATE, beta-lactoglobulin
Authors:Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K.
Deposit date:2012-12-08
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
4IB9
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BU of 4ib9 by Molmil
Bovine beta-lactoglobulin (isoform B) in complex with dodecyltrimethylammonium (DTAC)
Descriptor: DODECANE-TRIMETHYLAMINE, GLYCEROL, beta-lactoglobulin
Authors:Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K.
Deposit date:2012-12-08
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
4Q9I
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BU of 4q9i by Molmil
P-glycoprotein cocrystallised with QZ-Ala
Descriptor: (30F)A(30F)A(30F)A Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.781 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
3R1L
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BU of 3r1l by Molmil
Crystal structure of the Class I ligase ribozyme-substrate preligation complex, C47U mutant, Mg2+ bound
Descriptor: 5'-R(*UP*CP*CP*AP*GP*UP*A)-3', Class I ligase ribozyme, MAGNESIUM ION, ...
Authors:Shechner, D.M, Bartel, D.P.
Deposit date:2011-03-10
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.125 Å)
Cite:The structural basis of RNA-catalyzed RNA polymerization.
Nat.Struct.Mol.Biol., 18, 2011
1Y7C
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BU of 1y7c by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: betaP100A deoxy low-salt (1 test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-12-08
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1YGF
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BU of 1ygf by Molmil
T-to-T(high) quaternary transitions in human hemoglobin: betaH97A oxy (2MM IHP, 20% PEG) (1 test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2005-01-04
Release date:2005-01-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1YDZ
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BU of 1ydz by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: alphaY140F oxy (2MM IHP, 20% PEG) (1 test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-12-27
Release date:2005-01-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1YEN
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BU of 1yen by Molmil
T-To-T(High) quaternary transitions in human hemoglobin: betaP36A oxy (2MM IHP, 20% PEG) (10 test sets)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-12-28
Release date:2005-01-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
3GAO
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BU of 3gao by Molmil
Crystal structure of the guanine riboswitch bound to xanthine.
Descriptor: ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2009-02-18
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs.
Structure, 17, 2009
2A0T
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BU of 2a0t by Molmil
NMR structure of the FHA1 domain of Rad53 in complex with a biological relevant phosphopeptide derived from Madt1
Descriptor: Hypothetical 73.8 kDa protein in SAS3-SEC17 intergenic region, residues 301-310, Serine/threonine-protein kinase RAD53
Authors:Mahajan, A, Yuan, C, Pike, B.L, Heierhorst, J, Chang, C.-F, Tsai, M.-D.
Deposit date:2005-06-16
Release date:2005-11-08
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:FHA Domain-Ligand Interactions: Importance of Integrating Chemical and Biological Approaches
J.Am.Chem.Soc., 127, 2005
1H9Q
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BU of 1h9q by Molmil
H119Q CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
1H9N
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BU of 1h9n by Molmil
H119N CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
4Q9L
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BU of 4q9l by Molmil
P-glycoprotein cocrystallised with QZ-Phe
Descriptor: (30F)F(30F)F(30F)F Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
1LSU
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BU of 1lsu by Molmil
KTN Bsu222 Crystal Structure in Complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Conserved hypothetical protein yuaA
Authors:Roosild, T.P, Miller, S, Booth, I.R, Choe, S.
Deposit date:2002-05-18
Release date:2002-07-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A mechanism of regulating transmembrane potassium flux through a ligand-mediated conformational switch.
Cell(Cambridge,Mass.), 109, 2002
9BKK
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BU of 9bkk by Molmil
Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex
Descriptor: Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J.
Deposit date:2024-04-29
Release date:2024-05-22
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling.
Plos Biol., 22, 2024
8ZFS
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BU of 8zfs by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and MRL24
Descriptor: (2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
9BKJ
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BU of 9bkj by Molmil
Cholecystokinin 1 receptor (CCK1R) Y140A mutant, Gq chimera (mGsqi) complex
Descriptor: AMINO GROUP, Cholecystokinin receptor type A, Cholecystokinin-8, ...
Authors:Cary, B.P, Harikumar, K.G, Zhao, P, Desai, A.J, Mobbs, J.M, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J.
Deposit date:2024-04-29
Release date:2024-05-22
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling.
Plos Biol., 22, 2024
8ZFN
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BU of 8zfn by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and BVT.13
Descriptor: 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
8ZFR
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BU of 8zfr by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and nTZDpa
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024
7OHD
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BU of 7ohd by Molmil
CRYSTAL STRUCTURE OF FERRIC MURINE NEUROGLOBIN CDLESS MUTANT
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Cerutti, G, Gugole, E, Vallone, B.
Deposit date:2021-05-10
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the Role of Murine Neuroglobin CDloop-D-Helix Unit in CO Ligand Binding and Structural Dynamics.
Acs Chem.Biol., 17, 2022
8ZFT
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BU of 8zft by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with T0070907 and SR1664
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 4'-[(2,3-dimethyl-5-{[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl}-1H-indol-1-yl)methyl]biphenyl-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2024-05-08
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Unanticipated mechanisms of covalent inhibitor and synthetic ligand cobinding to PPAR gamma.
Elife, 2024

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数据于2024-10-09公开中

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