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6HKZ
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BU of 6hkz by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-49-1
分子名称: (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Motlova, L, Novakova, Z, Barinka, C.
登録日2018-09-09
公開日2018-12-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
6PY1
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BU of 6py1 by Molmil
Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, C-type lectin domain family 10 member A, ...
著者Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G.
登録日2019-07-28
公開日2020-07-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen.
Biochemistry, 60, 2021
8YEY
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BU of 8yey by Molmil
TRIP4 ASCH domain in complex with ssDNA-1
分子名称: Activating signal cointegrator 1, DNA (5'-D(*GP*TP*TP*TP*C)-3')
著者Ding, J, Yang, H, Hu, C.
登録日2024-02-23
公開日2024-06-26
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 32, 2024
8YXW
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BU of 8yxw by Molmil
TRIP4 ASCH domain in complex with a 12bp dsDNA (5'-TGAGGTACCTCC-3')
分子名称: Activating signal cointegrator 1, DNA (5'-D(*GP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*CP*C)-3')
著者Ding, J, Yang, H, Hu, C.
登録日2024-04-03
公開日2024-06-26
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 32, 2024
6RPV
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BU of 6rpv by Molmil
Extremely stable monomeric variant of human cystatin C with single amino acid substitution
分子名称: Cystatin-C
著者Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M.
登録日2019-05-14
公開日2019-07-31
最終更新日2024-11-13
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
2M75
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BU of 2m75 by Molmil
The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
分子名称: Zinc metalloproteinase/disintegrin
著者Chuang, W, Chang, Y, Shiu, J.
登録日2013-04-18
公開日2013-05-22
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献The C-terminal Region of Disintegrin Modulate its 3D Conformation and Cooperate with RGD Loop in Regulating Recognitions of Integrins
To be Published
8R6W
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BU of 8r6w by Molmil
Structure of the SFTSV L protein in a transcription-priming state with bound capped RNA [TRANSCRIPTION-PRIMING]
分子名称: RNA (5'-R(*(M7G)*AP*AP*A)-3'), RNA (5'-R(*AP*CP*AP*C)-3'), RNA (5'-R(*AP*CP*AP*CP*AP*GP*AP*GP*AP*CP*GP*CP*CP*CP*AP*G)-3'), ...
著者Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M.
登録日2023-11-23
公開日2024-04-24
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural snapshots of phenuivirus cap-snatching and transcription.
Nucleic Acids Res., 52, 2024
4WGY
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BU of 4wgy by Molmil
Crystal Structure of Cytochrome c' from Alcaligenes xylosoxidans NCIMB 11015 at pH 10.4
分子名称: Cytochrome c', HEME C
著者Takashina, A, Unno, M, Kohzuma, T.
登録日2014-09-19
公開日2015-03-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献X-ray Crystallographic Elucidation for the Alkaline High-spin State Transition of Iron(III) Cytochrome c' from Alcaligenes xylosoxidans NCIMB 11015
CHEM LETT., 44, 2015
5LSI
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BU of 5lsi by Molmil
CRYSTAL STRUCTURE OF THE KINETOCHORE MIS12 COMPLEX HEAD2 SUBDOMAIN CONTAINING DSN1 AND NSL1 FRAGMENTS
分子名称: Kinetochore-associated protein DSN1 homolog, Kinetochore-associated protein NSL1 homolog, SULFATE ION
著者Vetter, I.R, Petrovic, A, Keller, J, Liu, Y.
登録日2016-09-02
公開日2016-11-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structure of the MIS12 Complex and Molecular Basis of Its Interaction with CENP-C at Human Kinetochores.
Cell, 167, 2016
6VJP
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BU of 6vjp by Molmil
Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain
分子名称: Acetyltransferase, SODIUM ION
著者Jones, C.J, Sychantha, D, Howell, P.L, Clarke, A.J.
登録日2020-01-16
公開日2020-05-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献Structural basis for theO-acetyltransferase function of the extracytoplasmic domain of OatA fromStaphylococcus aureus.
J.Biol.Chem., 295, 2020
6HKJ
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BU of 6hkj by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor RNA 2-19-1
分子名称: (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Motlova, L, Novakova, Z, Barinka, C.
登録日2018-09-06
公開日2018-12-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics.
ACS Med Chem Lett, 9, 2018
4YL6
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BU of 4yl6 by Molmil
Crystal structure of truncated cerebral cavernous malformation 2 C-terminal adaptor domain in complex with an internal helix of mitogen-activated protein kinase kinase kinase 3
分子名称: Malcavernin, Mitogen-activated protein kinase kinase kinase 3
著者Ding, J, Wang, X, Wang, D.C.
登録日2015-03-05
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Insights into the Molecular Recognition between Cerebral Cavernous Malformation 2 and Mitogen-Activated Protein Kinase Kinase Kinase 3
Structure, 23, 2015
9FRD
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BU of 9frd by Molmil
Wildtype EGFR bound with Compound 23
分子名称: (7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ...
著者Pagliarini, A.R, Milgram, B.C, Borrelli, D.R, OHearn, E, Huff, M.R, Ladd, B, Brooijmans, N, Henderson, J.A, Hilbert, B.J, Wang, W, Ito, T.
登録日2024-06-18
公開日2025-01-29
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of STX-721, a Covalent, Potent, and Highly Mutant-Selective EGFR/HER2 Exon20 Insertion Inhibitor for the Treatment of Non-Small Cell Lung Cancer.
J.Med.Chem., 68, 2025
8PDP
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BU of 8pdp by Molmil
10-mer ring of HMPV N-RNA bound to the C-terminal region of P
分子名称: Nucleoprotein, Phosphoprotein, RNA
著者Whitehead, J.D, Decool, H, Leyrat, C, Carrique, L, Fix, J, Eleouet, J.F, Galloux, M, Renner, M.
登録日2023-06-12
公開日2023-12-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the N-RNA/P interface indicates mode of L/P recruitment to the nucleocapsid of human metapneumovirus.
Nat Commun, 14, 2023
8PDQ
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BU of 8pdq by Molmil
11-mer ring of HMPV N-RNA bound to the C-terminal region of P
分子名称: Nucleoprotein, Phosphoprotein, RNA
著者Whitehead, J.D, Decool, H, Leyrat, C, Carrique, L, Fix, J, Eleouet, J.F, Galloux, M, Renner, M.
登録日2023-06-12
公開日2023-12-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the N-RNA/P interface indicates mode of L/P recruitment to the nucleocapsid of human metapneumovirus.
Nat Commun, 14, 2023
8PDR
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BU of 8pdr by Molmil
Rigid body fit of assembled HMPV N-RNA spiral bound to the C-terminal region of P
分子名称: Nucleoprotein, Phosphoprotein, RNA
著者Whitehead, J.D, Decool, H, Leyrat, C, Carrique, L, Fix, J, Eleouet, J.F, Galloux, M, Renner, M.
登録日2023-06-12
公開日2023-12-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the N-RNA/P interface indicates mode of L/P recruitment to the nucleocapsid of human metapneumovirus.
Nat Commun, 14, 2023
8PDS
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BU of 8pds by Molmil
Local refinement of dimeric HMPV N-RNA bound to the C-terminal region of P
分子名称: Nucleoprotein, Phosphoprotein, RNA
著者Whitehead, J.D, Decool, H, Leyrat, C, Carrique, L, Fix, J, Eleouet, J.F, Galloux, M, Renner, M.
登録日2023-06-12
公開日2023-12-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the N-RNA/P interface indicates mode of L/P recruitment to the nucleocapsid of human metapneumovirus.
Nat Commun, 14, 2023
1HT7
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BU of 1ht7 by Molmil
STRUCTURE OF A DNA DUPLEX CONTAINING A BISTRAND ABASIC SITE LESION STAGGERED IN A 5'-ORIENTATION.
分子名称: 5'-D(*CP*GP*CP*AP*TP*GP*(3DR)P*GP*TP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*AP*(3DR)P*AP*CP*AP*TP*GP*CP*G)-3'
著者Lin, Z, de los Santos, C.
登録日2000-12-29
公開日2001-05-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR characterization of clustered bistrand abasic site lesions: effect of orientation on their solution structure.
J.Mol.Biol., 308, 2001
6OVK
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BU of 6ovk by Molmil
Crystal Structure of the Pseudomonas capeferrum Anti-sigma Regulator PupR C-terminal Cell-surface Signaling Domain in Complex with the Outer Membrane Transporter PupB N-terminal Signaling Domain
分子名称: Ferric-pseudobactin BN7/BN8 receptor, L(+)-TARTARIC ACID, Siderophore-interacting protein
著者Jensen, J.L, Colbert, C.L.
登録日2019-05-08
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Structural basis of cell-surface signaling by a conserved sigma regulator in Gram-negative bacteria.
J.Biol.Chem., 295, 2020
4YF2
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BU of 4yf2 by Molmil
Crystal structure of mouse sperm C-type lysozyme-like protein 1
分子名称: Sperm acrosome membrane-associated protein 3
著者Zheng, H, Mandal, A, Shumilin, I.A, Shabalin, I.G, Herr, J.C, Minor, W.
登録日2015-02-24
公開日2015-03-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Sperm Lysozyme-Like Protein 1 (SLLP1), an intra-acrosomal oolemmal-binding sperm protein, reveals filamentous organization in protein crystal form.
Andrology, 3, 2015
7AU0
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BU of 7au0 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7)
分子名称: Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7ATX
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BU of 7atx by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4)
分子名称: 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-01
公開日2021-08-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU8
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BU of 7au8 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13)
分子名称: 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU9
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BU of 7au9 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14)
分子名称: GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AUB
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BU of 7aub by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15)
分子名称: 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021

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