8HT7
 
 | | The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex | | Descriptor: | DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*TP*GP*GP*G)-3'), GLN-ALA-GLN-ALA-THR-ILE-SER-PHE-PRO-LYS-ARG-LYS-LEU-SER-TRP | | Authors: | Liu, C, Zhu, G, Geng, Y, Xu, N. | | Deposit date: | 2022-12-20 | | Release date: | 2023-12-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The N-terminal region of Cdc6 specifically recognizes human DNA G-quadruplex.
Int.J.Biol.Macromol., 260, 2024
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6U4J
 | | Crystal structure of IDH1 R132H mutant in complex with FT-2102 | | Descriptor: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile, CHLORIDE ION, CITRATE ANION, ... | | Authors: | Toms, A.V, Lin, J. | | Deposit date: | 2019-08-25 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor.
J.Med.Chem., 63, 2020
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6U6Z
 | | Human SAMHD1 bound to deoxyribo(TG*TTCA)-oligonucleotide | | Descriptor: | DNA polymer TG(PST)TCA, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION | | Authors: | Taylor, A.B, Yu, C.H, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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8JAH
 | | Crystal structure of human CLEC12A C-type lectin domain | | Descriptor: | C-type lectin domain family 12 member A, POTASSIUM ION, SULFATE ION | | Authors: | Lei, Q, Tang, H, Dong, X. | | Deposit date: | 2023-05-06 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Mechanistic insights into the C-type lectin receptor CLEC12A-mediated immune recognition of monosodium urate crystal.
J.Biol.Chem., 300, 2024
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6UMI
 | | Crystal structure of erenumab Fab-b | | Descriptor: | erenumab Fab heavy chain, IgG1, erenumab Fab light chain | | Authors: | Mohr, C. | | Deposit date: | 2019-10-09 | | Release date: | 2020-02-12 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
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6UMG
 | | Crystal structure of erenumab Fab bound to the extracellular domain of CGRP receptor | | Descriptor: | Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1, erenumab Fab heavy chain, ... | | Authors: | Mohr, C. | | Deposit date: | 2019-10-09 | | Release date: | 2020-02-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
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6UMH
 | | Crystal structure of erenumab Fab-a | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-PROPANDIOL, PHOSPHATE ION, ... | | Authors: | Mohr, C. | | Deposit date: | 2019-10-09 | | Release date: | 2020-02-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
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6UIP
 | | DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133. | | Descriptor: | 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2019-10-01 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
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6UMJ
 | | Crystal structure of erenumab Fab-c | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-BUTANEDIOL, erenumab Fab heavy chain, ... | | Authors: | Mohr, C. | | Deposit date: | 2019-10-09 | | Release date: | 2020-02-12 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
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8I9O
 | | ecCTPS filament bound with CTP, NADH, DON | | Descriptor: | 5-OXO-L-NORLEUCINE, ADENINE, CTP synthase, ... | | Authors: | Guo, C.J, Liu, J.L. | | Deposit date: | 2023-02-07 | | Release date: | 2024-02-14 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Filamentation and inhibition of prokaryotic CTP synthase with ligands.
Mlife, 3, 2024
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8I91
 | | ACE2-SIT1 complex bound with proline | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1.
Cell Discov, 9, 2023
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8I93
 | | ACE2-B0AT1 complex bound with methionine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Zhang, Y.Y, Shen, Y.P, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insight into the substrate recognition and transport mechanism of amino acid transporter complex ACE2-B 0 AT1 and ACE2-SIT1.
Cell Discov, 9, 2023
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6W5D
 | | Crystal Structure of Fab RSB1 | | Descriptor: | RSB1 Fab Heavy Chain, RSB1 Fab Light Chain | | Authors: | Harshbarger, W, Chandramouli, S, Malito, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-11-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
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6W52
 | | Prefusion RSV F bound by neutralizing antibody RSB1 | | Descriptor: | Fusion glycoprotein F0, Fusion glycoprotein F1 fused with Fibritin trimerization domain, RSB1 Fab Heavy Chain, ... | | Authors: | Harshbarger, W, Chandramouli, S, Malito, M. | | Deposit date: | 2020-03-12 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
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5UJJ
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5UJI
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5TUQ
 | | Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase | | Descriptor: | 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | | Authors: | Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2016-11-07 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
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5W2P
 | | Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5 | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ... | | Authors: | Capodagli, G.C, Neiditch, M.B. | | Deposit date: | 2017-06-06 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
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7DM2
 | | crystal structure of the M. tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-170 | | Descriptor: | PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ... | | Authors: | Ma, B, Freund, N, Xiang, Y. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
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7DM1
 | | crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36 | | Descriptor: | PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ... | | Authors: | Ma, B, Freund, N, Xiang, Y. | | Deposit date: | 2020-12-01 | | Release date: | 2020-12-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
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7DD5
 | | Structure of Calcium-Sensing Receptor in complex with NPS-2143 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, ... | | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | | Deposit date: | 2020-10-27 | | Release date: | 2021-06-16 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor.
Sci Adv, 7, 2021
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7DD7
 | | Structure of Calcium-Sensing Receptor in complex with Evocalcet | | Descriptor: | 2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | | Deposit date: | 2020-10-27 | | Release date: | 2021-06-16 | | Last modified: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor.
Sci Adv, 7, 2021
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7DD6
 | | Structure of Ca2+/L-Trp-bonnd Calcium-Sensing Receptor in active state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wen, T.L, Yang, X, Shen, Y.Q. | | Deposit date: | 2020-10-27 | | Release date: | 2021-06-16 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for activation and allosteric modulation of full-length calcium-sensing receptor.
Sci Adv, 7, 2021
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7EBS
 | | Crystal structure of juvenile hormone acid methyltransferase JHAMT from silkworm | | Descriptor: | Juvenile hormone acid methyltransferase | | Authors: | Guo, P.C, Zhang, Y.S, Zhang, L, Xu, H.Y, Xia, Q.Y. | | Deposit date: | 2021-03-11 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis for juvenile hormone biosynthesis by the juvenile hormone acid methyltransferase.
J.Biol.Chem., 297, 2021
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7EBX
 | | Crystal structure of juvenile hormone acid methyltransferase JHAMT in complex with S-adenosyl-L-homocysteine. | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, juvenile hormone acid methyltransferase | | Authors: | Guo, P.C, Zhang, Y.S, Zhang, L, Xu, H.Y, Xia, Q.Y. | | Deposit date: | 2021-03-11 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structural basis for juvenile hormone biosynthesis by the juvenile hormone acid methyltransferase.
J.Biol.Chem., 297, 2021
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