6AGG
 
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3VF7
 | | Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
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3VFA
 | | Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, SODIUM ION, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
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3VFB
 | | Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031 | | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
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7YUF
 | | apo human SPNS2 | | Descriptor: | NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ... | | Authors: | He, Y, Duan, Y. | | Deposit date: | 2022-08-17 | | Release date: | 2023-09-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
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7YUD
 | | FTY720p-bound human SPNS2 | | Descriptor: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, NbFab L-chain, NbFab-H-chain, ... | | Authors: | He, Y, Duan, Y. | | Deposit date: | 2022-08-17 | | Release date: | 2023-09-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
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4MMJ
 | | crystal structure of YafQ from E.coli strain BL21(DE3) | | Descriptor: | Addiction module toxin, RelE/StbE family, SULFATE ION | | Authors: | Liang, Y, Gao, Z, Liu, Q, Dong, Y. | | Deposit date: | 2013-09-09 | | Release date: | 2014-06-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
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4FFV
 | | Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | | Descriptor: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | | Deposit date: | 2012-06-01 | | Release date: | 2012-12-12 | | Last modified: | 2021-05-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
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8UAC
 | | CATHEPSIN L IN COMPLEX WITH AC1115 | | Descriptor: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Chao, A, DuPrez, K.T, Han, F.Q. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
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4R89
 | | Crystal structure of paFAN1 - 5' flap DNA complex with Manganase | | Descriptor: | DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ... | | Authors: | Cho, Y, Gwon, G.H, Kim, Y.R. | | Deposit date: | 2014-08-30 | | Release date: | 2014-10-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (4.002 Å) | | Cite: | Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1
Genes Dev., 28, 2014
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7RPK
 | | Cryo-EM structure of murine Dispatched in complex with Sonic hedgehog | | Descriptor: | (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A. | | Deposit date: | 2021-08-03 | | Release date: | 2021-10-27 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
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7RPJ
 | | Cryo-EM structure of murine Dispatched NNN mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1 | | Authors: | Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A. | | Deposit date: | 2021-08-03 | | Release date: | 2021-10-27 | | Last modified: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
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7RPH
 | | Cryo-EM structure of murine Dispatched 'R' conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ... | | Authors: | Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A. | | Deposit date: | 2021-08-03 | | Release date: | 2021-10-27 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
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7RPI
 | | Cryo-EM structure of murine Dispatched 'T' conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ... | | Authors: | Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A. | | Deposit date: | 2021-08-03 | | Release date: | 2021-10-27 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
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3WSQ
 | | Structure of HER2 with an Fab | | Descriptor: | Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2 | | Authors: | Fu, W.Y, Wang, Y.X, Zhou, L.J. | | Deposit date: | 2014-03-20 | | Release date: | 2015-03-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies.
MAbs, 6, 2014
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4R8A
 | | Crystal structure of paFAN1 - 5' flap DNA complex | | Descriptor: | DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*A)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ... | | Authors: | Cho, Y, Gwon, G.H, Kim, Y.R. | | Deposit date: | 2014-08-30 | | Release date: | 2014-10-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1
Genes Dev., 28, 2014
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4N70
 | | Pim1 Complexed with a pyridylcarboxamide | | Descriptor: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | Deposit date: | 2013-10-14 | | Release date: | 2013-11-06 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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4N6Y
 | | Pim1 Complexed with a phenylcarboxamide | | Descriptor: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | Deposit date: | 2013-10-14 | | Release date: | 2013-11-06 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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4K5Q
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4K6K
 | | Crystal structure of CALB mutant D223G from Candida antarctica | | Descriptor: | 1,2-ETHANEDIOL, Lipase B | | Authors: | An, J, Xie, Y, Feng, Y, Wu, G. | | Deposit date: | 2013-04-16 | | Release date: | 2014-01-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
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5GMZ
 | | Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | | Descriptor: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
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6A0Z
 | | Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ... | | Authors: | Li, S, Li, T. | | Deposit date: | 2018-06-06 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.329 Å) | | Cite: | Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
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4N6Z
 | | Pim1 Complexed with a pyridylcarboxamide | | Descriptor: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | Deposit date: | 2013-10-14 | | Release date: | 2013-11-06 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
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7MLB
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7MLI
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