Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4LVF
DownloadVisualize
BU of 4lvf by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVA
DownloadVisualize
BU of 4lva by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVD
DownloadVisualize
BU of 4lvd by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
7SXP
DownloadVisualize
BU of 7sxp by Molmil
G-quadruplex structure formed in the NRAS mRNA with a G8U substitution
Descriptor: CACODYLIC ACID, NRAS mRNA, POTASSIUM ION
Authors:Banco, M.T, Ferre-D'Amare, A.R.
Deposit date:2021-11-24
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Investigating the NRAS 5' UTR as a target for small molecules.
Cell Chem Biol, 30, 2023
3RHZ
DownloadVisualize
BU of 3rhz by Molmil
Structure and functional analysis of a new subfamily of glycosyltransferases required for glycosylation of serine-rich streptococcal adhesions
Descriptor: CHLORIDE ION, Nucleotide sugar synthetase-like protein, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, F, Li, J, Wu, H.
Deposit date:2011-04-12
Release date:2011-06-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structural and Functional Analysis of a New Subfamily of Glycosyltransferases Required for Glycosylation of Serine-rich Streptococcal Adhesins.
J.Biol.Chem., 286, 2011
6U7I
DownloadVisualize
BU of 6u7i by Molmil
Faecalibacterium prausnitzii Beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-09-03
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens.
J.Biol.Chem., 294, 2019
6AXQ
DownloadVisualize
BU of 6axq by Molmil
CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate)
Descriptor: CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate
Authors:Murray, J.M, Jayaram, H.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6AY5
DownloadVisualize
BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
Descriptor: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6AY3
DownloadVisualize
BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
Descriptor: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
Authors:Murray, J.M.
Deposit date:2017-09-07
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6CV7
DownloadVisualize
BU of 6cv7 by Molmil
Mouse Protocadherin-15 Extracellular Cadherin Domains 1 through 3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dionne, G, Shapiro, L.
Deposit date:2018-03-27
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Mechanotransduction by PCDH15 Relies on a Novel cis-Dimeric Architecture.
Neuron, 99, 2018
6VME
DownloadVisualize
BU of 6vme by Molmil
Human ESCRT-I heterotetramer headpiece
Descriptor: Multivesicular body subunit 12A, Tumor susceptibility gene 101 protein, Vacuolar protein sorting-associated protein 28 homolog, ...
Authors:Flower, T.G, Hurley, J.H, Tjahjono, N.
Deposit date:2020-01-27
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:A helical assembly of human ESCRT-I scaffolds reverse-topology membrane scission.
Nat.Struct.Mol.Biol., 27, 2020
2F68
DownloadVisualize
BU of 2f68 by Molmil
Crystal structure of collagen adhesin (CNA) from S. aureus
Descriptor: Collagen adhesin
Authors:Zong, Y, Narayana, S.V.L.
Deposit date:2005-11-28
Release date:2006-12-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A 'Collagen Hug' model for Staphylococcus aureus CNA binding to collagen.
Embo J., 24, 2005
2F6A
DownloadVisualize
BU of 2f6a by Molmil
Collagen Adhesin and Collagen Complex Structure
Descriptor: Collagen, Collagen adhesin
Authors:Zong, Y, Narayana, S.L.V.
Deposit date:2005-11-28
Release date:2006-12-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:A 'Collagen Hug' model for Staphylococcus aureus CNA binding to collagen.
Embo J., 24, 2005
2POJ
DownloadVisualize
BU of 2poj by Molmil
NMR Solution Structure of the Inhibitor-Free State of Macrophage Metalloelastase (MMP-12)
Descriptor: CALCIUM ION, Macrophage metalloelastase, ZINC ION
Authors:Bhaskaran, R, Van Doren, S.R.
Deposit date:2007-04-26
Release date:2007-12-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of Inhibitor-Free Human Metalloelastase (MMP-12) Indicates an Internal Conformational Adjustment.
J.Mol.Biol., 374, 2007
4ISA
DownloadVisualize
BU of 4isa by Molmil
Crystal Structure of the Escherichia coli LpxC/BB-78485 complex
Descriptor: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
4IS9
DownloadVisualize
BU of 4is9 by Molmil
Crystal Structure of the Escherichia coli LpxC/L-161,240 complex
Descriptor: (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
6K81
DownloadVisualize
BU of 6k81 by Molmil
Crystal structure of human VASH1-SVBP complex
Descriptor: Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
Authors:Liu, X, Wang, H, Zhang, Y, Feng, Y.
Deposit date:2019-06-11
Release date:2020-02-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural insights into tubulin detyrosination by vasohibins-SVBP complex.
Cell Discov, 5, 2019
8HBM
DownloadVisualize
BU of 8hbm by Molmil
Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA
Descriptor: Bile acid receptor, DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3'), ...
Authors:Jiang, L, Chen, Y.
Deposit date:2022-10-29
Release date:2023-06-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA.
Comput Struct Biotechnol J, 21, 2023
5U86
DownloadVisualize
BU of 5u86 by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-069 complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ...
Authors:Najeeb, J, Lee, C.-J, Zhou, P.
Deposit date:2016-12-13
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC.
MBio, 8, 2017
8J54
DownloadVisualize
BU of 8j54 by Molmil
Crystal structure of RXR/DR2 complex
Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Retinoic acid receptor RXR, ...
Authors:Chen, Y, Jiang, L.
Deposit date:2023-04-21
Release date:2024-01-17
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma.
Structure, 32, 2024
4LG8
DownloadVisualize
BU of 4lg8 by Molmil
Crystal structure of PRPF19 WD40 repeats
Descriptor: Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION
Authors:Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-06-27
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
4O62
DownloadVisualize
BU of 4o62 by Molmil
CW-type zinc finger of ZCWPW2 in complex with the amino terminus of histone H3
Descriptor: Histone H3.3, UNKNOWN ATOM OR ION, ZINC ION, ...
Authors:Liu, Y, Tempel, W, Dong, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-03-26
Last modified:2016-06-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
4QQ4
DownloadVisualize
BU of 4qq4 by Molmil
CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3
Descriptor: CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ...
Authors:Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-26
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
5DRP
DownloadVisualize
BU of 5drp by Molmil
Structure of the AaLpxC/LPC-023 Complex
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N~2~-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-isoleucinamide, ...
Authors:Najeeb, J, Lee, C.-J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DRR
DownloadVisualize
BU of 5drr by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon