Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

9ON8
DownloadVisualize
BU of 9on8 by Molmil
Immature HIV-1 CACTD-SP1 lattice with Maturation inhibitor PF-46396 (R) and Inositol hexakisphosphate (IP6)
Descriptor: 1-{(2R)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one, Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:Zadorozhnyi, R, Quinn, C.M, Zadrozny, K.K, Ablan, S.D, Kennedy, B.J, Yap, G.P.A, Sanner, D, Kraml, C, Freed, E.O, Ganser-Pornillos, B.K, Pornillos, O, Gronenborn, A.M, Polenova, T.
Deposit date:2025-05-14
Release date:2025-10-08
Method:SOLID-STATE NMR
Cite:Structural Basis for HIV-1 Maturation Inhibition by PF-46396 Determined by MAS NMR.
J.Am.Chem.Soc., 147, 2025
9ON9
DownloadVisualize
BU of 9on9 by Molmil
Immature HIV-1 CACTD-SP1 lattice with Maturation inhibitor PF-46396 (R) and Inositol hexakisphosphate (IP6)
Descriptor: 1-{(2R)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one, Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:Zadorozhnyi, R, Quinn, C.M, Zadrozny, K.K, Ablan, S.D, Kennedy, B.J, Yap, G.P.A, Sanner, D, Kraml, C, Freed, E.O, Ganser-Pornillos, B.K, Pornillos, O, Gronenborn, A.M, Polenova, T.
Deposit date:2025-05-14
Release date:2025-10-08
Method:SOLID-STATE NMR
Cite:Structural Basis for HIV-1 Maturation Inhibition by PF-46396 Determined by MAS NMR.
J.Am.Chem.Soc., 147, 2025
9ONB
DownloadVisualize
BU of 9onb by Molmil
Immature HIV-1 CACTD-SP1 lattice with Maturation inhibitor PF-46396 (S) and Inositol hexakisphosphate (IP6)
Descriptor: 1-{(2S)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one, Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:Zadorozhnyi, R, Quinn, C.M, Zadrozny, K.K, Ablan, S.D, Kennedy, B.J, Yap, G.P.A, Sanner, D, Kraml, C, Freed, E.O, Ganser-Pornillos, B.K, Pornillos, O, Gronenborn, A.M, Polenova, T.
Deposit date:2025-05-14
Release date:2025-10-08
Method:SOLID-STATE NMR
Cite:Structural Basis for HIV-1 Maturation Inhibition by PF-46396 Determined by MAS NMR.
J.Am.Chem.Soc., 147, 2025
9ONA
DownloadVisualize
BU of 9ona by Molmil
Immature HIV-1 CACTD-SP1 lattice with Maturation inhibitor PF-46396 (S) and Inositol hexakisphosphate (IP6)
Descriptor: 1-{(2S)-2-(4-tert-butylphenyl)-2-[(2,3-dihydro-1H-inden-2-yl)amino]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one, Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:Zadorozhnyi, R, Quinn, C.M, Zadrozny, K.K, Ablan, S.D, Kennedy, B.J, Yap, G.P.A, Sanner, D, Kraml, C, Freed, E.O, Ganser-Pornillos, B.K, Pornillos, O, Gronenborn, A.M, Polenova, T.
Deposit date:2025-05-14
Release date:2025-10-08
Method:SOLID-STATE NMR
Cite:Structural Basis for HIV-1 Maturation Inhibition by PF-46396 Determined by MAS NMR.
J.Am.Chem.Soc., 147, 2025
5NEE
DownloadVisualize
BU of 5nee by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 5-[2-(morpholine-4-carbonyl)1,3-oxazol-5-yl)]thiophene-2-sulfonammide
Descriptor: 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M, Supuran, C.T, Krasavin, M.
Deposit date:2017-03-10
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads.
Bioorg. Med. Chem., 25, 2017
8W0K
DownloadVisualize
BU of 8w0k by Molmil
Minimal PutA proline dehydrogenase domain (design #2) complexed with 1-hydroxyethane-1-sulfonate
Descriptor: (1R)-1-hydroxyethane-1-sulfonic acid, Bifunctional protein PutA fusion protein, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2024-02-13
Release date:2024-07-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
8VRE
DownloadVisualize
BU of 8vre by Molmil
Structure of PYCR1 complexed with NADH and N-formyl-L-proline
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-formyl-L-proline, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J, Meeks, K.R.
Deposit date:2024-01-21
Release date:2024-07-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1).
Protein Sci., 33, 2024
5L4Q
DownloadVisualize
BU of 5l4q by Molmil
Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor)
Descriptor: 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
Authors:Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S.
Deposit date:2016-05-26
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.
J.Med.Chem., 2019
8Z2Y
DownloadVisualize
BU of 8z2y by Molmil
High-resolution crystal structure of exo-beta-(1,3)-glucanase from Aspergillus oryzae (AoBgl) as a complex with glucose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Banerjee, B, Kamale, C.K, Suryawanshi, A.B, Bhaumik, P.
Deposit date:2024-04-13
Release date:2024-11-06
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of Aspergillus oryzae exo-beta-(1,3)-glucanase reveal insights into oligosaccharide binding, recognition, and hydrolysis.
Febs Lett., 599, 2025
8FAE
DownloadVisualize
BU of 8fae by Molmil
Asymmetric structure of cleaved HIV-1 AE2 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles (AE2.1)
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, K, Zhang, S, Sodroski, J, Mao, Y.
Deposit date:2022-11-26
Release date:2023-06-07
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles.
Commun Biol, 6, 2023
8FAD
DownloadVisualize
BU of 8fad by Molmil
Asymmetric structure of cleaved HIV-1 AD8 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, K, Zhang, S, Sodroski, J, Mao, Y.
Deposit date:2022-11-26
Release date:2023-06-07
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles.
Commun Biol, 6, 2023
7U5Z
DownloadVisualize
BU of 7u5z by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with JLJ353
Descriptor: 2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
Deposit date:2022-03-03
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis, and biological testing of biphenylmethyloxazole inhibitors targeting HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 84, 2023
5K97
DownloadVisualize
BU of 5k97 by Molmil
Flap endonuclease 1 (FEN1) D233N with cleaved product fragment and Sm3+
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), ...
Authors:Tsutakawa, S.E, Arvai, A.S, Tainer, J.A.
Deposit date:2016-05-31
Release date:2017-06-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability.
Nat Commun, 8, 2017
7P32
DownloadVisualize
BU of 7p32 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
Deposit date:2021-07-06
Release date:2022-07-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
5L57
DownloadVisualize
BU of 5l57 by Molmil
Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
Descriptor: (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
9C9M
DownloadVisualize
BU of 9c9m by Molmil
HIV-1 intasome core bound with DTG
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, Integrase, MAGNESIUM ION, ...
Authors:Li, M, Craigie, R.
Deposit date:2024-06-14
Release date:2024-07-31
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.01 Å)
Cite:HIV-1 Intasomes Assembled with Excess Integrase C-Terminal Domain Protein Facilitate Structural Studies by Cryo-EM and Reveal the Role of the Integrase C-Terminal Tail in HIV-1 Integration.
Viruses, 16, 2024
6QXW
DownloadVisualize
BU of 6qxw by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 24344 patterns merged (3 chips)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Lieske, J, Tolstikova, A, Meents, A.
Deposit date:2019-03-08
Release date:2019-09-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6QY2
DownloadVisualize
BU of 6qy2 by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 750 patterns merged
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Lieske, J, Tolstikova, A, Meents, A.
Deposit date:2019-03-08
Release date:2019-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6QY0
DownloadVisualize
BU of 6qy0 by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 3000 patterns merged
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Lieske, J, Tolstikova, A, Meents, A.
Deposit date:2019-03-08
Release date:2019-09-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6QY1
DownloadVisualize
BU of 6qy1 by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 1500 patterns merged
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Lieske, J, Tolstikova, A, Meents, A.
Deposit date:2019-03-08
Release date:2019-09-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
8A1P
DownloadVisualize
BU of 8a1p by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D
Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P.
Deposit date:2022-06-01
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
8STS
DownloadVisualize
BU of 8sts by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor
Descriptor: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Hollander, K, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-05-11
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STQ
DownloadVisualize
BU of 8stq by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor
Descriptor: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-05-11
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.955 Å)
Cite:Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STU
DownloadVisualize
BU of 8stu by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor
Descriptor: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Hollander, K, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-05-11
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
6QXX
DownloadVisualize
BU of 6qxx by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 14793 patterns merged
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Lieske, J, Tolstikova, A, Meents, A.
Deposit date:2019-03-08
Release date:2019-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019

243531

數據於2025-10-22公開中

PDB statisticsPDBj update infoContact PDBjnumon