Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
2GC8
DownloadVisualize
BU of 2gc8 by Molmil
Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase
Descriptor: 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase
Authors:Gopalsamy, A, Chopra, R, Lim, K, Ciszewski, G, Shi, M, Curran, K.J, Sukits, S.F, Svenson, K, Bard, J, Ellingboe, J.W, Agarwal, A, Krishnamurthy, G, Howe, A.Y, Orlowski, M, Feld, B, O'connell, J, Mansour, T.S.
Deposit date:2006-03-13
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006
1LDF
DownloadVisualize
BU of 1ldf by Molmil
CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) MUTATION W48F, F200T
Descriptor: GLYCEROL, Glycerol uptake facilitator protein, MAGNESIUM ION, ...
Authors:Nollert, P, Miercke, L.J.W, O'Connell, J, Stroud, R.M.
Deposit date:2002-04-08
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science, 296, 2002
1LDA
DownloadVisualize
BU of 1lda by Molmil
CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) WITHOUT SUBSTRATE GLYCEROL
Descriptor: Glycerol uptake facilitator protein, octyl beta-D-glucopyranoside
Authors:Nollert, P, Miercke, L.J.W, O'Connell, J, Stroud, R.M.
Deposit date:2002-04-08
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science, 296, 2002
1LDI
DownloadVisualize
BU of 1ldi by Molmil
CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) WITHOUT SUBSTRATE GLYCEROL
Descriptor: Glycerol uptake facilitator protein, octyl beta-D-glucopyranoside
Authors:Nollert, P, Miercke, L.J.W, O'Connell, J, Stroud, R.M.
Deposit date:2002-04-08
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science, 296, 2002
1MZJ
DownloadVisualize
BU of 1mzj by Molmil
Crystal Structure of the Priming beta-Ketosynthase from the R1128 Polyketide Biosynthetic Pathway
Descriptor: ACETYL GROUP, Beta-ketoacylsynthase III, COENZYME A
Authors:Pan, H, Tsai, S.C, Meadows, E.S, Miercke, L.J.W, Keatinge-Clay, A, O'Connell, J, Khosla, C, Stroud, R.M.
Deposit date:2002-10-08
Release date:2002-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the priming beta-ketosynthase from the R1128 polyketide biosynthetic pathway
Structure, 10
1RD4
DownloadVisualize
BU of 1rd4 by Molmil
An allosteric inhibitor of LFA-1 bound to its I-domain
Descriptor: 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE, Integrin alpha-L
Authors:Crump, M.P, Ceska, T.A, Spyracopoulos, L, Henry, A, Archibald, S.C, Alexander, R, Taylor, R.J, Findlow, S.C, O'Connell, J, Robinson, M.K, Shock, A.
Deposit date:2003-11-05
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry
Biochemistry, 43, 2004
2CCX
DownloadVisualize
BU of 2ccx by Molmil
DETERMINATION OF THE NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF CARDIOTOXIN CTX IIB FROM NAJA MOSSAMBICA MOSSAMBICA
Descriptor: CARDIOTOXIN CTX IIB
Authors:O'Connell, J, Wuthrich, K.
Deposit date:1993-02-01
Release date:1994-01-31
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Determination of the nuclear-magnetic-resonance solution structure of cardiotoxin CTX IIb from Naja mossambica mossambica.
Eur.J.Biochem., 213, 1993
6OOY
DownloadVisualize
BU of 6ooy by Molmil
Asymmetric hTNF-alpha
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Tumor necrosis factor, {1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}methanol
Authors:Arakaki, T.L, Edwards, T.E, Ceska, T.
Deposit date:2019-04-23
Release date:2019-12-25
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
6OP0
DownloadVisualize
BU of 6op0 by Molmil
Asymmetric hTNF-alpha
Descriptor: (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor
Authors:Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T.
Deposit date:2019-04-23
Release date:2019-12-25
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
6OOZ
DownloadVisualize
BU of 6ooz by Molmil
Asymmetric hTNF-alpha
Descriptor: (S)-{1-[(2,5-dimethylphenyl)methyl]-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, CHLORIDE ION, Tumor necrosis factor
Authors:Arakaki, T.L, Edwards, T.E, Fox III, D, Lecomte, F, Ceska, T.
Deposit date:2019-04-23
Release date:2019-12-25
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
8DIB
DownloadVisualize
BU of 8dib by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIE
DownloadVisualize
BU of 8die by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIF
DownloadVisualize
BU of 8dif by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
DownloadVisualize
BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DII
DownloadVisualize
BU of 8dii by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIH
DownloadVisualize
BU of 8dih by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIC
DownloadVisualize
BU of 8dic by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DID
DownloadVisualize
BU of 8did by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
7KP9
DownloadVisualize
BU of 7kp9 by Molmil
asymmetric hTNF-alpha
Descriptor: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor
Authors:Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
1HRI
DownloadVisualize
BU of 1hri by Molmil
STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
Descriptor: 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ...
Authors:Zhang, A, Nanni, R.G, Oren, D.A, Arnold, E.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2023-01-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
7KP7
DownloadVisualize
BU of 7kp7 by Molmil
asymmetric mTNF-alpha hTNFR1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ...
Authors:Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
7KPB
DownloadVisualize
BU of 7kpb by Molmil
Human TNF-alpha TNFR1 complex bound to conformationally selective antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Fab1974 - Heavy Chain, ...
Authors:Fox III, D, Conrady, D.G, Lowe, M, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF
Nat Commun, 12, 2021
7KPA
DownloadVisualize
BU of 7kpa by Molmil
asymmetric hTNF-alpha
Descriptor: 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one, Tumor necrosis factor
Authors:Fox III, D, Lukacs, C.M, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2022-06-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A conformation-selective monoclonal antibody against a small molecule-stabilised signalling-deficient form of TNF.
Nat Commun, 12, 2021
7KP8
DownloadVisualize
BU of 7kp8 by Molmil
asymmetric mTNF-alpha hTNFR1 complex
Descriptor: 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor, Tumor necrosis factor receptor superfamily member 1A
Authors:Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T.
Deposit date:2020-11-10
Release date:2021-01-13
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
1EAH
DownloadVisualize
BU of 1eah by Molmil
PV2L COMPLEXED WITH ANTIVIRAL AGENT SCH48973
Descriptor: 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE, MYRISTIC ACID, POLIOVIRUS TYPE 2 COAT PROTEINS VP1 TO VP4
Authors:Lentz, K, Arnold, E.
Deposit date:1997-07-22
Release date:1998-09-16
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of poliovirus type 2 Lansing complexed with antiviral agent SCH48973: comparison of the structural and biological properties of three poliovirus serotypes.
Structure, 5, 1997

 

12>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon