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2IZG
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BU of 2izg by Molmil
STREPTAVIDIN-BIOTIN PH 2.0 I222 COMPLEX
Descriptor: BIOTIN, STREPTAVIDIN, SULFATE ION
Authors:Katz, B.A.
Deposit date:1997-08-13
Release date:1998-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
2P4R
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BU of 2p4r by Molmil
Structural basis for a novel interaction between AIP4 and beta-PIX
Descriptor: E3 ubiquitin-protein ligase Itchy homolog, GLYCEROL, Rho guanine nucleotide exchange factor 7, ...
Authors:Min, K.C.
Deposit date:2007-03-13
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:A novel interaction between atrophin-interacting protein 4 and beta-p21-activated kinase-interactive exchange factor is mediated by an SH3 domain.
J.Biol.Chem., 282, 2007
2E4Z
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BU of 2e4z by Molmil
Crystal structure of the ligand-binding region of the group III metabotropic glutamate receptor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Metabotropic glutamate receptor 7
Authors:Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
Deposit date:2006-12-17
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
7MHK
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BU of 7mhk by Molmil
Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9601 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
5HTD
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BU of 5htd by Molmil
Recombinant bovine beta-lactoglobulin variant L1A/I2S with endogenous ligand (sBlgB#1)
Descriptor: Beta-lactoglobulin, MYRISTIC ACID
Authors:Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K.
Deposit date:2016-01-26
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation.
Mol Biotechnol., 58, 2016
1AFD
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BU of 1afd by Molmil
STRUCTURAL BASIS OF GALACTOSE RECOGNITION IN C-TYPE ANIMAL LECTINS
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A
Authors:Kolatkar, A.R, Weis, W.I.
Deposit date:1995-11-03
Release date:1996-04-03
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of galactose recognition by C-type animal lectins.
J.Biol.Chem., 271, 1996
1GDI
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BU of 1gdi by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: CARBON MONOXIDE, LEGHEMOGLOBIN (CARBONMONOXY), PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The binding of carbon monoxide and nitric oxide to leghaemoglobin in comparison with other haemoglobins.
J.Mol.Biol., 264, 1996
1GDL
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BU of 1gdl by Molmil
CRYSTAL STRUCTURE OF FERRIC COMPLEXES OF THE YELLOW LUPIN LEGHEMOGLOBIN WITH ISOQUINOLINE AT 1.8 ANGSTROMS RESOLUTION (RUSSIAN)
Descriptor: LEGHEMOGLOBIN (NITROGEN MONOXY), NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E, Safonova, T, Kuranova, I.
Deposit date:1994-09-14
Release date:1995-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The binding of carbon monoxide and nitric oxide to leghaemoglobin in comparison with other haemoglobins.
J.Mol.Biol., 264, 1996
1AFB
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BU of 1afb by Molmil
STRUCTURAL BASIS OF GALACTOSE RECOGNITION IN C-TYPE ANIMAL LECTINS
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Kolatkar, A.R, Weis, W.I.
Deposit date:1995-11-03
Release date:1996-04-03
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of galactose recognition by C-type animal lectins.
J.Biol.Chem., 271, 1996
1AFA
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BU of 1afa by Molmil
STRUCTURAL BASIS OF GALACTOSE RECOGNITION IN C-TYPE ANIMAL LECTINS
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ...
Authors:Kolatkar, A.R, Weis, W.I.
Deposit date:1995-11-03
Release date:1996-04-03
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of galactose recognition by C-type animal lectins.
J.Biol.Chem., 271, 1996
8F7N
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BU of 8f7n by Molmil
Crystal structure of chemoreceptor McpZ ligand sensing domain
Descriptor: Methyl-accepting chemotaxis protein, YTTERBIUM (III) ION
Authors:Salar, S, Schubot, F.D.
Deposit date:2022-11-19
Release date:2023-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural analysis of the periplasmic domain of Sinorhizobium meliloti chemoreceptor McpZ reveals a novel fold and suggests a complex mechanism of transmembrane signaling.
Proteins, 91, 2023
6FZ4
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BU of 6fz4 by Molmil
Structure of GluK1 ligand-binding domain in complex with N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide at 1.85 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Kastrup, J.S, Frydenvang, K, Mollerud, S.
Deposit date:2018-03-14
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:N1-Substituted Quinoxaline-2,3-diones as Kainate Receptor Antagonists: X-ray Crystallography, Structure-Affinity Relationships, and in Vitro Pharmacology.
Acs Chem Neurosci, 10, 2019
2RTK
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BU of 2rtk by Molmil
STREPTAVIDIN-GLYCOLURIL COMPLEX, PH 2.58, SPACE GROUP I4122 PREPARED FROM AN APOSTREPTAVIDIN CRYSTAL
Descriptor: ACETATE ION, GLYCOLURIL, STREPTAVIDIN, ...
Authors:Katz, B.A.
Deposit date:1997-09-11
Release date:1998-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Binding of biotin to streptavidin stabilizes intersubunit salt bridges between Asp61 and His87 at low pH.
J.Mol.Biol., 274, 1997
7XVY
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BU of 7xvy by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN
Descriptor: (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Furuya, N, Handa, C.
Deposit date:2022-05-25
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
2OI4
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BU of 2oi4 by Molmil
Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Maksimoska, J, Meggers, E.
Deposit date:2007-01-10
Release date:2007-04-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand.
Org.Biomol.Chem., 5, 2007
6YXG
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BU of 6yxg by Molmil
Cryogenic human adiponectin receptor 2 (ADIPOR2) with Tb-XO4 ligand determined by Serial Crystallography (SSX) using CrystalDirect
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 2, OLEIC ACID, ...
Authors:Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A.
Deposit date:2020-05-01
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
6YXF
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BU of 6yxf by Molmil
Cryogenic human adiponectin receptor 2 (ADIPOR2) with Gd-DO3 ligand determined by Serial Crystallography (SSX) using CrystalDirect
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, Adiponectin receptor protein 2, ...
Authors:Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A.
Deposit date:2020-05-01
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.025 Å)
Cite:An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
5VYQ
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BU of 5vyq by Molmil
Crystal structure of the N-formyltransferase Rv3404c from mycobacterium tuberculosis in complex with YDP-Qui4N and folinic acid
Descriptor: 1,2-ETHANEDIOL, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, CHLORIDE ION, ...
Authors:Dunsirn, M.M, Thoden, J.B, Holden, H.M.
Deposit date:2017-05-26
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biochemical Investigation of Rv3404c from Mycobacterium tuberculosis.
Biochemistry, 56, 2017
7RJ8
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BU of 7rj8 by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
Authors:Pokross, M, Muckelbauer, J.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
7RJ6
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BU of 7rj6 by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
Descriptor: (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ...
Authors:Muckelbauer, J.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.132 Å)
Cite:Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
7RJ7
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BU of 7rj7 by Molmil
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND 2-(1-AMINO-3-METHYLBUTYL)-6- (PYRIDIN-4-YL)QUINOLINE-4-CARBONITRILE
Descriptor: 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile, AP2-associated protein kinase 1, SULFATE ION
Authors:Muckelbauer, J.
Deposit date:2021-07-20
Release date:2022-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.124 Å)
Cite:Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors.
J.Med.Chem., 65, 2022
5LL8
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BU of 5ll8 by Molmil
Human Carbonic Anhydrase II in complex with aliphatic Benzenesulfonamide inhibitor.
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-butylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2016-07-27
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Crystallographic, kinetic and thermodynamic characterization of aliphatic Benzenesulfonamides as Ligands of human Carbonic Anhydrase II
To Be Published
7R6M
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BU of 7r6m by Molmil
Post-2S intermediate of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic dimeric construct
Descriptor: Group I intron, Ligated exon mimic of the Group I intron, MAGNESIUM ION
Authors:Thelot, F, Liu, D, Liao, M, Yin, P.
Deposit date:2021-06-22
Release date:2022-05-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly.
Nat.Methods, 19, 2022
5C7A
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BU of 5c7a by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7
Descriptor: (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
Deposit date:2015-06-24
Release date:2015-08-12
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
8HPJ
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BU of 8hpj by Molmil
Crystal structure of the bacterial oxalate transporter OxlT in a ligand-free outward-facing form
Descriptor: Fv fragment Heavy chain, Fv fragment Light chain, Oxalate:formate antiporter
Authors:Shimamura, T, Hirai, T, Yamashita, A.
Deposit date:2022-12-12
Release date:2023-02-15
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and mechanism of oxalate transporter OxlT in an oxalate-degrading bacterium in the gut microbiota.
Nat Commun, 14, 2023

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數據於2024-07-31公開中

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