8HOI
 
 | | Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | | Descriptor: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | | Deposit date: | 2022-12-10 | | Release date: | 2024-01-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
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4A66
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116A mutant | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PEROXIDE ION, ... | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
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4A68
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116N mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, ... | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
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8GPX
 | | YFV_E_YD73Fab_postfusion | | Descriptor: | Envelope protein, YD73Fab_H, YD73Fab_K | | Authors: | Li, Y, Wu, L, Chai, Y, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus.
Innovation (N Y), 3, 2022
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8GPU
 | | YFV_E_YD6Fab_prefusion | | Descriptor: | Envelope protein, YD6Fab_H, YD6Fab_L | | Authors: | Li, Y, Wu, L, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus.
Innovation (N Y), 3, 2022
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8GPT
 | | YFV_E_YD6scFv_postfusion | | Descriptor: | Envelope protein, YD6_VH, YD6_VL | | Authors: | Li, Y, Wu, L, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus.
Innovation (N Y), 3, 2022
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2OD3
 | | Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced by murine thrombin equivalents. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | | Authors: | Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E. | | Deposit date: | 2006-12-21 | | Release date: | 2007-04-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis of na+ activation mimicry in murine thrombin.
J.Biol.Chem., 282, 2007
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2E9N
 | | Structure of h-CHK1 complexed with A767085 | | Descriptor: | 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-26 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
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2OCV
 | | Structural basis of Na+ activation mimicry in murine thrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin | | Authors: | Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E. | | Deposit date: | 2006-12-21 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of na+ activation mimicry in murine thrombin.
J.Biol.Chem., 282, 2007
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2E9O
 | | Structure of h-CHK1 complexed with AA582939 | | Descriptor: | 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-26 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
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2E9V
 | | Structure of h-CHK1 complexed with A859017 | | Descriptor: | 18-CHLORO-2-OXO-17-[(PYRIDIN-4-YLMETHYL)AMINO]-2,3,11,12,13,14-HEXAHYDRO-1H,10H-4,8-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECINE-7-CARBONITRILE, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-27 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors
To be Published
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2E9P
 | | Structure of h-CHK1 complexed with A771129 | | Descriptor: | 1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-26 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent and Selective Macrocyclic Chk1 Inhibitors
To be Published
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2E9U
 | | Structure of h-CHK1 complexed with A780125 | | Descriptor: | 18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE, Serine/threonine-protein kinase Chk1 | | Authors: | Park, C. | | Deposit date: | 2007-01-27 | | Release date: | 2008-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design, Synthesis and Biological Evaluation of Potent Selective Macrocyclic Chk1 Inhibitors
To be Published
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2FME
 | | Crystal structure of the mitotic kinesin eg5 (ksp) in complex with mg-adp and (r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide | | Descriptor: | (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | | Authors: | Sheriff, S. | | Deposit date: | 2006-01-09 | | Release date: | 2006-04-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of human mitotic kinesin Eg5: Characterization of the 4-phenyl-tetrahydroisoquinoline lead series
Bioorg.Med.Chem.Lett., 16, 2006
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6P66
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8K0D
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8K0C
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6PE4
 | | Yeast Vo motor in complex with 1 VopQ molecule | | Descriptor: | Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ... | | Authors: | Peng, W, Li, Y, Tomchick, D.R, Orth, K. | | Deposit date: | 2019-06-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
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6P4F
 | | Crystal structure of the XPB-Bax1-forked DNA ternary complex | | Descriptor: | CHLORIDE ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*TP*TP*TP*GP*CP*TP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*GP*TP*AP*GP*GP*TP*TP*TP*CP*CP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), ... | | Authors: | He, F, Hilario, E, Fan, L. | | Deposit date: | 2019-05-27 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Structural basis of the XPB helicase-Bax1 nuclease complex interacting with the repair bubble DNA.
Nucleic Acids Res., 48, 2020
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8HJB
 | | Crystal structure of Pseudomonas aeruginosa PvrA with coenzyme A | | Descriptor: | COENZYME A, TetR family transcriptional regulator | | Authors: | Liang, H, Bartlam, M. | | Deposit date: | 2022-11-23 | | Release date: | 2023-02-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa.
Nucleic Acids Res., 51, 2023
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5GSA
 | | EED in complex with an allosteric PRC2 inhibitor | | Descriptor: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-08-15 | | Release date: | 2017-02-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
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6PE5
 | | Yeast Vo motor in complex with 2 VopQ molecules | | Descriptor: | Cation transporter, Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, ... | | Authors: | Peng, W, Li, Y, Tomchick, D.R, Orth, K. | | Deposit date: | 2019-06-20 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A distinct inhibitory mechanism of the V-ATPase by Vibrio VopQ revealed by cryo-EM.
Nat.Struct.Mol.Biol., 27, 2020
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1BHG
 | | HUMAN BETA-GLUCURONIDASE AT 2.6 A RESOLUTION | | Descriptor: | BETA-GLUCURONIDASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Jain, S, Drendel, W.B. | | Deposit date: | 1996-03-04 | | Release date: | 1997-09-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure of human beta-glucuronidase reveals candidate lysosomal targeting and active-site motifs.
Nat.Struct.Biol., 3, 1996
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4MQ1
 | | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | | Deposit date: | 2013-09-15 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4LYR
 | | Glycoside Hydrolase Family 5 Mannosidase from Rhizomucor miehei, E301A mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Exo-beta-1,4-mannosidase | | Authors: | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | | Deposit date: | 2013-07-31 | | Release date: | 2014-08-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
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