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4UA6
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BU of 4ua6 by Molmil
CTX-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, PHOSPHATE ION, POTASSIUM ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.79 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
4UA7
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BU of 4ua7 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with a Non-Covalent Inhibitor at Sub-Angstrom Resolution
Descriptor: Beta-lactamase CTX-M-14, N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide, PHOSPHATE ION
Authors:Nichols, D.A, Chen, Y.
Deposit date:2014-08-08
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
8DPX
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BU of 8dpx by Molmil
Preligand association structure of DR5
Descriptor: Tumor necrosis factor receptor superfamily member 10B
Authors:Du, G, Zhao, L, Chou, J.J.
Deposit date:2022-07-17
Release date:2023-02-15
Method:SOLUTION NMR
Cite:Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation.
Cell Res., 33, 2023
2LBD
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BU of 2lbd by Molmil
LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO ALL-TRANS RETINOIC ACID
Descriptor: RETINOIC ACID, RETINOIC ACID RECEPTOR GAMMA
Authors:Renaud, J.-P, Rochel, N, Ruff, M, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:1997-08-19
Release date:1997-11-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of the RAR-gamma ligand-binding domain bound to all-trans retinoic acid.
Nature, 378, 1995
6FT3
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BU of 6ft3 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC)
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
1MKW
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BU of 1mkw by Molmil
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-03-13
Release date:1997-07-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
1MKX
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BU of 1mkx by Molmil
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-03-13
Release date:1997-07-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
7JQG
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BU of 7jqg by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-08-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6IEI
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BU of 6iei by Molmil
Loop deletion and proline insertion mutant (deleting six residues and inserted five proline residues)
Descriptor: Outer surface protein A
Authors:Shiga, S, Makabe, K.
Deposit date:2018-09-14
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Domain-Swapping Design by Polyproline Rod Insertion.
Chembiochem, 20, 2019
6ICS
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BU of 6ics by Molmil
Loop deletion mutant (deleting four residues)
Descriptor: Outer surface protein A
Authors:Shiga, S, Makabe, K.
Deposit date:2018-09-06
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Domain-Swapping Design by Polyproline Rod Insertion.
Chembiochem, 20, 2019
6IDC
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BU of 6idc by Molmil
Loop deletion and proline insertion mutant (deleting six residues and inserted six proline residues)
Descriptor: Outer surface protein A
Authors:Shiga, S, Makabe, K.
Deposit date:2018-09-09
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Domain-Swapping Design by Polyproline Rod Insertion.
Chembiochem, 20, 2019
6IYS
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BU of 6iys by Molmil
Loop deletion and proline insertion mutant (deleting six residues and inserted three proline residues)
Descriptor: Outer surface protein A
Authors:Shiga, S, Makabe, K.
Deposit date:2018-12-17
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Domain-Swapping Design by Polyproline Rod Insertion.
Chembiochem, 20, 2019
6GCV
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BU of 6gcv by Molmil
Ligand binding domain (LBD) of the p. aeruginosa nitrate receptor McpN
Descriptor: ACETATE ION, Chemotaxis transducer, NITRATE ION, ...
Authors:Gavira, J.A, Krell, T, Martin-Mora, D, Ortega, A.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Molecular Mechanism of Nitrate Chemotaxis via Direct Ligand Binding to the PilJ Domain of McpN.
MBio, 10, 2019
2IQ5
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BU of 2iq5 by Molmil
Unliganded Crystal Structure of the Uridine Phosphorylase from Salmonella Typhimurium at 1.90 A Resolution
Descriptor: Uridine phosphorylase
Authors:Timofeev, V.I, Dontsova, M.V, Gabdoulkhakov, A.G, Pavlyuk, B.P, Mikhailov, A.M.
Deposit date:2006-10-13
Release date:2007-10-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unliganded Crystal Structure of the Uridine Phosphorylase from Salmonella Typhimurium at 1.90 A Resolution
To be Published
8AQJ
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BU of 8aqj by Molmil
Hydrophobic probe bound to Streptavidin - 2
Descriptor: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide, Streptavidin
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-08-12
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hydrophobic probe bound to Streptavidin - 2
To Be Published
7SWD
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BU of 7swd by Molmil
Structure of EBOV GP lacking the mucin-like domain with 1C11 scFv and 1C3 Fab bound
Descriptor: 1C11 scFv, 1C3 heavy chain, 1C3 light chain, ...
Authors:Milligan, J.C, Yu, X, Saphire, E.O.
Deposit date:2021-11-19
Release date:2022-04-06
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Asymmetric and non-stoichiometric glycoprotein recognition by two distinct antibodies results in broad protection against ebolaviruses.
Cell, 185, 2022
8AQO
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BU of 8aqo by Molmil
Streptavidin with a bisbiothinilated Fe4S4 cluster
Descriptor: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide, Streptavidin
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2022-08-13
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hydrophobic probe bound to Streptavidin - 1
To Be Published
5T65
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BU of 5t65 by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-ILE
Descriptor: ACETATE ION, ISOLEUCINE, Methyl-accepting chemotaxis protein PctA, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
Deposit date:2016-09-01
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
5T7M
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BU of 5t7m by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-TRP
Descriptor: ACETATE ION, Chemotaxis protein, SODIUM ION, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
Deposit date:2016-09-05
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
8UWS
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BU of 8uws by Molmil
Cryo-EM structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43
Descriptor: Beta-xylosidase, CALCIUM ION
Authors:Briganti, L, Godoy, A.S, Capetti, C.C.M, Portugal, R.V, Polikarpov, I.
Deposit date:2023-11-08
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Cryo-EM structure of an Enterobacter GH43 Beta-Xylosidase: EcXyl43
To Be Published
7A0U
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BU of 7a0u by Molmil
LIGAND FREE TYPE II E. COLI ASPARAGINASE T12S/T89S DOUBLE MUTANT
Descriptor: L-asparaginase 2
Authors:Maggi, M, Scotti, C.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.260487 Å)
Cite:LIGAND FREE TYPE II E. COLI ASPARAGINASE T12S/T89S DOUBLE MUTANT
To Be Published
4F29
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BU of 4f29 by Molmil
Quisqualate bound to the ligand binding domain of GluA3i
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2012-05-07
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
4F2O
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BU of 4f2o by Molmil
Quisqualate bound to the D655A mutant of the ligand binding domain of GluA3
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2012-05-08
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
4F3G
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BU of 4f3g by Molmil
Kainate bound to the ligand binding domain of GluA3i
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2012-05-09
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.064 Å)
Cite:The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
4F22
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BU of 4f22 by Molmil
Kainate bound to the K660A mutant of the ligand binding domain of GluA3
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2012-05-07
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012

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