Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 37 results

1KP2
DownloadVisualize
BU of 1kp2 by Molmil
Crystal Structure of E. coli Argininosuccinate Synthetase in Complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANIDINE, PHOSPHATE ION, ...
Authors:Lemke, C.T, Howell, P.L.
Deposit date:2001-12-27
Release date:2002-04-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate Induced Conformational Changes in Argininosuccinate Synthetase
J.Biol.Chem., 277, 2002
1KP3
DownloadVisualize
BU of 1kp3 by Molmil
Crystal Structure of E. coli Argininosuccinate Synthetase in Complex with ATP and Citrulline
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CITRULLINE, GUANIDINE, ...
Authors:Lemke, C.T, Howell, P.L.
Deposit date:2001-12-27
Release date:2002-04-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate Induced Conformational Changes in Argininosuccinate Synthetase
J.Biol.Chem., 277, 2002
3P8O
DownloadVisualize
BU of 3p8o by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335
Descriptor: HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide, ...
Authors:Lemke, C.T.
Deposit date:2010-10-14
Release date:2011-01-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335.
J.Biol.Chem., 286, 2011
3P8N
DownloadVisualize
BU of 3p8n by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with BI 201335
Descriptor: HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide, ...
Authors:Lemke, C.T.
Deposit date:2010-10-14
Release date:2011-01-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335.
J.Biol.Chem., 286, 2011
1K97
DownloadVisualize
BU of 1k97 by Molmil
Crystal Structure of E. coli Argininosuccinate Synthetase in complex with Aspartate and Citrulline
Descriptor: ARGININOSUCCINATE SYNTHASE, ASPARTIC ACID, CITRULLINE
Authors:Lemke, C.T, Howell, P.L.
Deposit date:2001-10-26
Release date:2001-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 1.6 A crystal structure of E. coli argininosuccinate synthetase suggests a conformational change during catalysis.
Structure, 9, 2001
1K92
DownloadVisualize
BU of 1k92 by Molmil
Crystal Structure of Uncomplexed E. coli Argininosuccinate Synthetase
Descriptor: ARGININOSUCCINATE SYNTHASE, GLYCEROL, SULFATE ION
Authors:Lemke, C.T, Howell, P.L.
Deposit date:2001-10-26
Release date:2001-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The 1.6 A crystal structure of E. coli argininosuccinate synthetase suggests a conformational change during catalysis.
Structure, 9, 2001
4E92
DownloadVisualize
BU of 4e92 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4
Descriptor: 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein
Authors:Lemke, C.T.
Deposit date:2012-03-20
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
J.Virol., 86, 2012
4I32
DownloadVisualize
BU of 4i32 by Molmil
Crystal structure of HCV NS3/4A D168V protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.3001 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
4I33
DownloadVisualize
BU of 4i33 by Molmil
Crystal structure of HCV NS3/4A R155K protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9001 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
4I31
DownloadVisualize
BU of 4i31 by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9301 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
4E91
DownloadVisualize
BU of 4e91 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3
Descriptor: (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein, ...
Authors:Lemke, C.T.
Deposit date:2012-03-20
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
J.Virol., 86, 2012
4JMU
DownloadVisualize
BU of 4jmu by Molmil
Crystal structure of HIV matrix residues 1-111 in complex with inhibitor
Descriptor: 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, Gag-Pol polyprotein, SULFATE ION
Authors:Lemke, C.T.
Deposit date:2013-03-14
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity.
J.Med.Chem., 57, 2014
4J93
DownloadVisualize
BU of 4j93 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1
Descriptor: (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein
Authors:Lemke, C.T.
Deposit date:2013-02-15
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of Novel Small-Molecule HIV-1 Replication Inhibitors That Stabilize Capsid Complexes.
Antimicrob.Agents Chemother., 57, 2013
4JMY
DownloadVisualize
BU of 4jmy by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with DDIVPC peptide
Descriptor: HCV non-structural protein 4A, Polyprotein, SODIUM ION, ...
Authors:Lemke, C.T.
Deposit date:2013-03-14
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Importance of the peptide scaffold of drugs that target the hepatitis C virus NS3 protease and its crucial bioactive conformation and dynamic factors.
To be Published
7UPI
DownloadVisualize
BU of 7upi by Molmil
Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex
Descriptor: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ...
Authors:Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A.
Deposit date:2022-04-15
Release date:2022-05-04
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
7T7A
DownloadVisualize
BU of 7t7a by Molmil
Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein
Descriptor: Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, NITRATE ION
Authors:Hajian, B, Lemke, C, Kwon, J, Bian, Y, Fuller, C, Aguirre, J.
Deposit date:2021-12-14
Release date:2022-05-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
8TXY
DownloadVisualize
BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
Descriptor: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
Authors:Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
Deposit date:2023-08-24
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
3I0O
DownloadVisualize
BU of 3i0o by Molmil
Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, in complex with ADP and Spectinomcyin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Fong, D.H, Lemke, C.T, Hwang, J, Xiong, B, Berghuis, A.M.
Deposit date:2009-06-25
Release date:2010-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the antibiotic resistance factor spectinomycin phosphotransferase from Legionella pneumophila.
J.Biol.Chem., 285, 2010
3I0Q
DownloadVisualize
BU of 3i0q by Molmil
Crystal Structure of the AMP-bound complex of Spectinomycin Phosphotransferase, APH(9)-Ia
Descriptor: ADENOSINE MONOPHOSPHATE, NICKEL (II) ION, Spectinomycin phosphotransferase
Authors:Berghuis, A.M, Fong, D.H, Lemke, C.T, Hwang, J.-Y, Xiong, B.
Deposit date:2009-06-25
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the antibiotic resistance factor spectinomycin phosphotransferase from Legionella pneumophila.
J.Biol.Chem., 285, 2010
3I1A
DownloadVisualize
BU of 3i1a by Molmil
Crystal Structure of apo Spectinomycin Phosphotransferase, APH(9)-Ia
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Spectinomycin phosphotransferase, ...
Authors:Berghuis, A.M, Fong, D.H, Lemke, C.T, Hwang, J, Xiong, B.
Deposit date:2009-06-25
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the antibiotic resistance factor spectinomycin phosphotransferase from Legionella pneumophila.
J.Biol.Chem., 285, 2010
7LRD
DownloadVisualize
BU of 7lrd by Molmil
Cryo-EM of the SLFN12-PDE3A complex: Consensus subset model
Descriptor: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Fuller, J.R, Garvie, C.W, Lemke, C.T.
Deposit date:2021-02-16
Release date:2021-06-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7LRE
DownloadVisualize
BU of 7lre by Molmil
Cryo-EM of the SLFN12-PDE3A complex: SLFN12 body refinement
Descriptor: Schlafen family member 12, ZINC ION
Authors:Fuller, J.R, Garvie, C.W, Lemke, C.T.
Deposit date:2021-02-16
Release date:2021-06-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7LRC
DownloadVisualize
BU of 7lrc by Molmil
Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement
Descriptor: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Fuller, J.R, Garvie, C.W, Lemke, C.T.
Deposit date:2021-02-16
Release date:2021-06-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7NXL
DownloadVisualize
BU of 7nxl by Molmil
Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110
Descriptor: Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
Authors:Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
Deposit date:2021-03-18
Release date:2021-09-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
7NXM
DownloadVisualize
BU of 7nxm by Molmil
Structure of human cathepsin K in complex with the selective activity-based probe Gu3416
Descriptor: Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION
Authors:Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
Deposit date:2021-03-18
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021

 

12>

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon