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3P3D
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BU of 3p3d by Molmil
Crystal structure of the Nup53 RRM domain from Pichia guilliermondii
Descriptor: Nucleoporin 53
Authors:Sampathkumar, P, Shawn, C, Bain, K, Gilmore, J, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-10-04
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the Nup53 RRM domain from Pichia guilliermondii
To be Published
3IYG
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BU of 3iyg by Molmil
Ca model of bovine TRiC/CCT derived from a 4.0 Angstrom cryo-EM map
Descriptor: T-complex protein 1 subunit, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
Authors:Cong, Y, Baker, M.L, Ludtke, S.J, Frydman, J, Chiu, W.
Deposit date:2009-11-28
Release date:2010-03-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4 Å)
Cite:4.0-A resolution cryo-EM structure of the mammalian chaperonin TRiC/CCT reveals its unique subunit arrangement.
Proc.Natl.Acad.Sci.USA, 107, 2010
5I8G
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BU of 5i8g by Molmil
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
Descriptor: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5IMK
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BU of 5imk by Molmil
Nanobody targeting human Vsig4 in Spacegroup C2
Descriptor: Nanobody, V-set and immunoglobulin domain-containing protein 4
Authors:Wen, Y.
Deposit date:2016-03-06
Release date:2017-01-11
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.227 Å)
Cite:Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity
Immunobiology, 222, 2017
5IMO
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BU of 5imo by Molmil
Nanobody targeting mouse Vsig4 in Spacegroup P3221
Descriptor: Nanobody, Protein Vsig4
Authors:Wen, Y, Zheng, F.
Deposit date:2016-03-06
Release date:2017-01-11
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity
Immunobiology, 222, 2017
1XPW
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BU of 1xpw by Molmil
Solution NMR Structure of human protein HSPCO34. Northeast Structural Genomics Target HR1958
Descriptor: LOC51668 protein
Authors:Ramelot, T.A, Xiao, R, Ma, L.C, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-10-09
Release date:2004-11-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Improving NMR protein structure quality by Rosetta refinement: a molecular replacement study.
Proteins, 75, 2009
5ZAU
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BU of 5zau by Molmil
Complex of the human FYN SH3 and monobody binder
Descriptor: Monobody Binder, Tyrosine-protein kinase Fyn
Authors:Reddy, P.P, Gulyani, A, Das, R.
Deposit date:2018-02-09
Release date:2019-09-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Fyn biosensor reveals pulsatile, spatially localized kinase activity and signaling crosstalk in live mammalian cells.
Elife, 9, 2020
5BV7
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BU of 5bv7 by Molmil
Crystal structure of human LCAT (L4F, N5D) in complex with Fab of an agonistic antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 27C3 heavy chain, 27C3 light chain, ...
Authors:Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C.
Deposit date:2015-06-04
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Agonistic Human Antibodies Binding to Lecithin-Cholesterol Acyltransferase Modulate High Density Lipoprotein Metabolism.
J.Biol.Chem., 291, 2016
1QA7
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BU of 1qa7 by Molmil
CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, HAV 3C PROTEINASE, ...
Authors:Bergmann, E.M, Cherney, M.M, Mckendrick, J, Vederas, J.C, James, M.N.G.
Deposit date:1999-04-15
Release date:1999-04-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of an inhibitor complex of the 3C proteinase from hepatitis A virus (HAV) and implications for the polyprotein processing in HAV.
Virology, 265, 1999
2AMV
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BU of 2amv by Molmil
THE STRUCTURE OF GLYCOGEN PHOSPHORYLASE B WITH AN ALKYL-DIHYDROPYRIDINE-DICARBOXYLIC ACID
Descriptor: 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), ...
Authors:Zographos, S.E, Oikonomakos, N.G, Johnson, L.N.
Deposit date:1998-10-13
Release date:1998-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of glycogen phosphorylase b with an alkyldihydropyridine-dicarboxylic acid compound, a novel and potent inhibitor.
Structure, 5, 1997
2ARX
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BU of 2arx by Molmil
Pterocarpus angolensis seed lectin in complex with the decasaccharide NA2F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Buts, L, Garcia-Pino, A, Imberty, A, Amiot, N, Boons, G.-J, Lah, J, Versees, W, Wyns, L, Loris, R.
Deposit date:2005-08-22
Release date:2006-08-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the recognition of complex-type biantennary oligosaccharides by Pterocarpus angolensis lectin.
Febs J., 273, 2006
8G21
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BU of 8g21 by Molmil
Reelin C-Terminal Region
Descriptor: Reelin
Authors:Chandrahas, A.S, Marino, C, Arboleda-Velasquez, J.F.
Deposit date:2023-02-03
Release date:2023-05-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Resilience to autosomal dominant Alzheimer's disease in a Reelin-COLBOS heterozygous man.
Nat Med, 29, 2023
6PQ3
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BU of 6pq3 by Molmil
Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K.
Deposit date:2019-07-08
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
1O1K
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BU of 1o1k by Molmil
Deoxy hemoglobin (A,C:V1M; B,D:V1M,V67W)
Descriptor: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Brucker, E.A.
Deposit date:2002-11-17
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:

1O1P
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BU of 1o1p by Molmil
Deoxy hemoglobin (A-GLY-C:V1M; B,D:V1M,C93A,N108K)
Descriptor: Hemoglobin Alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Brucker, E.A.
Deposit date:2002-11-17
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:

6Q7A
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BU of 6q7a by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
3GFW
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BU of 3gfw by Molmil
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrolo-pyridin ligand
Descriptor: 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK
Authors:Filippakopoulos, P, Soundararajan, M, Choi, H, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Grey, N, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2009-02-27
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
7B1W
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BU of 7b1w by Molmil
Crystal structure of plastidial ribulose epimerase RPE1 from the model alga Chlamydomonas reinhardtii
Descriptor: Ribulose-phosphate 3-epimerase, ZINC ION
Authors:Henri, J, Zaffagnini, M, Tedesco, D, Crozet, P, Lemaire, S.D.
Deposit date:2020-11-25
Release date:2021-12-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Characterization of chloroplast ribulose-5-phosphate-3-epimerase from the microalga Chlamydomonas reinhardtii.
Plant Physiol., 2023
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
1O1I
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BU of 1o1i by Molmil
Cyanomet hemoglobin (A-GLY-C:V1M,L29F,H58Q; B,D:V1M,L106W)
Descriptor: CYANIDE ION, Hemoglobin Alpha chain, Hemoglobin Beta chain, ...
Authors:Brucker, E.A.
Deposit date:2002-11-19
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:

1O1M
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BU of 1o1m by Molmil
Deoxy hemoglobin (A-GLYGLYGLY-C:V1M,L29F,H58Q B,D:V1M,V67W)
Descriptor: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Brucker, E.A.
Deposit date:2002-11-17
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:

3SKH
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BU of 3skh by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
1O1J
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BU of 1o1j by Molmil
Deoxy hemoglobin (A-GLY-C:V1M,L29F,H58Q; B,D:V1M,L106W)
Descriptor: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Brucker, E.A.
Deposit date:2002-11-17
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:

222624

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