5KM2
 
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9OGB
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9OGE
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5KQX
 | | Protease E35D-SQV | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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9NTB
 | | Crystal structure of human HDAC2 in complex with TNG260 | | Descriptor: | (R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | McMillan, B.J, Whittington, D.A. | | Deposit date: | 2025-03-18 | | Release date: | 2025-09-17 | | Last modified: | 2025-10-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | TNG260 Is a Small-Molecule CoREST Inhibitor That Sensitizes STK11-Mutant Tumors to Anti-PD-1 Immunotherapy.
Cancer Res., 85, 2025
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9OGF
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5IEZ
 | | Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design | | Descriptor: | 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2016-02-25 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
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3T7L
 | | Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution | | Descriptor: | 1,2-ETHANEDIOL, ZINC ION, Zinc finger FYVE domain-containing protein 16 | | Authors: | Chaikuad, A, Williams, E, Guo, K, Sanvitale, C, Berridge, G, Krojer, T, Muniz, J.R.C, Canning, P, Phillips, C, Shrestha, A, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-07-30 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal structure of the FYVE domain of endofin (ZFYVE16) at 1.1A resolution
To be Published
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5KLY
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9R51
 | | Dimeric state of the F420-reducing hydrogenase from Methanothermococcus thermolithotrophicus in crystalline form 1 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, F420-reducing [NiFe]-hydrogenase from Methanothermococcus thermolithotrophicus subunit alpha, ... | | Authors: | Jespersen, M, Lemaire, O.N, Wagner, T. | | Deposit date: | 2025-05-08 | | Release date: | 2025-10-22 | | Last modified: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Spectroscopic Insights into Catalytic Intermediates of a [NiFe]-hydrogenase from Group 3.
Chembiochem, 26, 2025
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5KR0
 | | Protease E35D-APV | | Descriptor: | GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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3D8P
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5KR2
 | | Protease PR5-SQV | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5I5Z
 | | CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide | | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID, ... | | Authors: | Musil, D, Blagg, J, Mallinger, A. | | Deposit date: | 2016-02-15 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
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5KSE
 | | Flap endonuclease 1 (FEN1) R100A with 5'-flap substrate DNA and Sm3+ | | Descriptor: | 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'), DNA (5'-D(P*TP*AP*AP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | | Deposit date: | 2016-07-08 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability.
Nat Commun, 8, 2017
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6XQG
 | | Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellobiosyl-cellobiose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site | | Descriptor: | CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | | Authors: | Liberato, M.V, Squina, F. | | Deposit date: | 2020-07-09 | | Release date: | 2021-02-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
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6XQL
 | | Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with cellohexaose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site | | Descriptor: | CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | | Authors: | Liberato, M.V, Squina, F. | | Deposit date: | 2020-07-09 | | Release date: | 2021-02-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
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8VBG
 | | Kinetic intermediate states of HIV-1 RT DNA synthesis captured by cryo-EM | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (38-MER), HIV-1 reverse transcriptase P51 subunit, ... | | Authors: | Vergara, S, Zhou, X, Santiago, U, Conway, J.F, Sluis-Cremer, N, Calero, G. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural basis of deoxynucleotide addition by HIV-1 RT during reverse transcription.
Nat Commun, 15, 2024
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8VBD
 | | Kinetic intermediate states of HIV-1 RT DNA synthesis captured by cryo-EM | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (38-MER), HIV-1 reverse transcriptase P51 subunit, ... | | Authors: | Vergara, S, Zhou, X, Santiago, U, Conway, J.F, Sluis-Cremer, N, Calero, G. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis of deoxynucleotide addition by HIV-1 RT during reverse transcription.
Nat Commun, 15, 2024
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8VB8
 | | Kinetic intermediate states of HIV-1 RT DNA synthesis captured by cryo-EM | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (38-MER), HIV-1 reverse transcriptase P51 subunit, ... | | Authors: | Vergara, S, Zhou, X, Santiago, U, Conway, J.F, Sluis-Cremer, N, Calero, G. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of deoxynucleotide addition by HIV-1 RT during reverse transcription.
Nat Commun, 15, 2024
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8VB9
 | | Kinetic intermediate states of HIV-1 RT DNA synthesis captured by cryo-EM | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (38-MER), HIV-1 reverse transcriptase P51 subunit, ... | | Authors: | Vergara, S, Zhou, X, Santiago, U, Conway, J.F, Sluis-Cremer, N, Calero, G. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of deoxynucleotide addition by HIV-1 RT during reverse transcription.
Nat Commun, 15, 2024
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8VBF
 | | Kinetic intermediate states of HIV-1 RT DNA synthesis captured by cryo-EM | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (40-MER), HIV-1 reverse transcriptase P51 subunit, ... | | Authors: | Vergara, S, Zhou, X, Santiago, U, Conway, J.F, Sluis-Cremer, N, Calero, G. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of deoxynucleotide addition by HIV-1 RT during reverse transcription.
Nat Commun, 15, 2024
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8VBI
 | | Kinetic intermediate states of HIV-1 RT DNA synthesis captured by cryo-EM | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (38-MER), HIV-1 reverse transcriptase P51 subunit, ... | | Authors: | Vergara, S, Zhou, X, Santiago, U, Conway, J.F, Sluis-Cremer, N, Calero, G. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural basis of deoxynucleotide addition by HIV-1 RT during reverse transcription.
Nat Commun, 15, 2024
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8VB7
 | | Kinetic intermediate states of HIV-1 RT DNA synthesis captured by cryo-EM | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (38-MER), HIV-1 reverse transcriptase P51 subunit, ... | | Authors: | Vergara, S, Zhou, X, Santiago, U, Conway, J.F, Sluis-Cremer, N, Calero, G. | | Deposit date: | 2023-12-12 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-18 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural basis of deoxynucleotide addition by HIV-1 RT during reverse transcription.
Nat Commun, 15, 2024
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7ZMH
 | | CryoEM structure of mitochondrial complex I from Chaetomium thermophilum (state 1) - membrane arm | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | Authors: | Laube, E, Kuehlbrandt, W. | | Deposit date: | 2022-04-19 | | Release date: | 2022-11-30 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.47 Å) | | Cite: | Conformational changes in mitochondrial complex I of the thermophilic eukaryote Chaetomium thermophilum.
Sci Adv, 8, 2022
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