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9IOR
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BU of 9ior by Molmil
INTERACTION BETWEEN A FLUOROQUINOLONE DERIVATIVE KG022 AND RNAS: EFFECT OF BASE PAIRS 5' ADJACENT TO THE BULGE OUT ESIDUES
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA (5'-R(*GP*GP*AP*UP*AP*CP*UP*UP*UP*CP*GP*AP*GP*UP*GP*AP*UP*CP*C)-3')
Authors:Ichijo, R, Kawai, G.
Deposit date:2024-07-09
Release date:2025-04-02
Last modified:2025-06-04
Method:SOLUTION NMR
Cite:Specific Interaction between a Fluoroquinolone Derivative, KG022, and RNAs with a Single Bulge.
Biochemistry, 64, 2025
8SZQ
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BU of 8szq by Molmil
Cat DHX9 bound to ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A.
Deposit date:2023-05-30
Release date:2023-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
1EMY
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BU of 1emy by Molmil
CRYSTAL STRUCTURE OF ASIAN ELEPHANT (ELEPHAS MAXIMUS) CYANO-MET MYOGLOBIN AT 1.78 ANGSTROMS RESOLUTION. PHE 29 (B10) ACCOUNTS FOR ITS UNUSUAL LIGAND BINDING PROPERTIES
Descriptor: CYANIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bisig, D.A, Piontek, K.
Deposit date:1995-02-22
Release date:1995-04-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of Asian elephant (Elephas maximus) cyano-metmyoglobin at 1.78-A resolution. Phe29(B10) accounts for its unusual ligand binding properties.
J.Biol.Chem., 270, 1995
1EDQ
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BU of 1edq by Molmil
CRYSTAL STRUCTURE OF CHITINASE A FROM S. MARCESCENS AT 1.55 ANGSTROMS
Descriptor: CHITINASE A
Authors:Papanikolau, Y, Petratos, K.
Deposit date:2000-01-28
Release date:2000-02-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:De novo purification scheme and crystallization conditions yield high-resolution structures of chitinase A and its complex with the inhibitor allosamidin.
Acta Crystallogr.,Sect.D, 59, 2003
1EGV
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BU of 1egv by Molmil
CRYSTAL STRUCTURE OF THE DIOL DEHYDRATASE-ADENINYLPENTYLCOBALAMIN COMPLEX FROM KLEBSELLA OXYTOCA UNDER THE ILLUMINATED CONDITION.
Descriptor: CO-(ADENIN-9-YL-PENTYL)-COBALAMIN, POTASSIUM ION, PROPANEDIOL DEHYDRATASE, ...
Authors:Masuda, J, Shibata, N, Toraya, T, Morimoto, Y, Yasuoka, N.
Deposit date:2000-02-17
Release date:2001-02-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:How a protein generates a catalytic radical from coenzyme B(12): X-ray structure of a diol-dehydratase-adeninylpentylcobalamin complex.
Structure Fold.Des., 8, 2000
1EUW
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BU of 1euw by Molmil
ATOMIC RESOLUTION STRUCTURE OF E. COLI DUTPASE
Descriptor: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, ETHYL MERCURY ION, GLYCEROL
Authors:Gonzalez, A, Cedergren, E, Larsson, G, Persson, R.
Deposit date:2000-04-17
Release date:2000-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic resolution structure of Escherichia coli dUTPase determined ab initio.
Acta Crystallogr.,Sect.D, 57, 2001
6XRQ
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BU of 6xrq by Molmil
Structural descriptions of ligand interactions to DNA and RNA quadruplexes folded from the non-coding region of Pseudorabies virus
Descriptor: 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, RNA (5' GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A-3')
Authors:Zhang, Y.S, Parkinson, G.N, Wei, D.G.
Deposit date:2020-07-13
Release date:2021-07-28
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Structural descriptions of ligand interactions to RNA quadruplexes folded from the non-coding region of Pseudorabies virus.
Biochimie, 2024
7QDI
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BU of 7qdi by Molmil
Structure of octameric left-handed 310-helix bundle: D-310HD
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Kumar, P, Paterson, N.G, Woolfson, D.N.
Deposit date:2021-11-27
Release date:2022-04-27
Last modified:2022-07-27
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
1EGM
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BU of 1egm by Molmil
CRYSTAL STRUCTURE OF DIOL DEHYDRATASE-CYANOCOBALAMIN COMPLEX AT 100K.
Descriptor: CYANOCOBALAMIN, POTASSIUM ION, PROPANEDIOL DEHYDRATASE, ...
Authors:Masuda, J, Shibata, N, Toraya, T, Morimoto, Y, Yasuoka, N.
Deposit date:2000-02-15
Release date:2000-09-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:How a protein generates a catalytic radical from coenzyme B(12): X-ray structure of a diol-dehydratase-adeninylpentylcobalamin complex.
Structure Fold.Des., 8, 2000
8CH2
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BU of 8ch2 by Molmil
PBP AccA from A. vitis S4 in complex with L-arabinose-2-phosphate (A2P)
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
Authors:Morera, S, Deicsics, G, Vigouroux, A.
Deposit date:2023-02-06
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
483D
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BU of 483d by Molmil
CRYSTAL STRUCTURE OF THE SARCIN/RICIN DOMAIN FROM E. COLI 23 S RRNA
Descriptor: SARCIN/RICIN RRNA DOMAIN
Authors:Correll, C.C, Wool, I.G, Munishkin, A.
Deposit date:1999-07-23
Release date:1999-10-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:The two faces of the Escherichia coli 23 S rRNA sarcin/ricin domain: the structure at 1.11 A resolution.
J.Mol.Biol., 292, 1999
8CKD
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BU of 8ckd by Molmil
PBP AccA from A. fabrum C58 in complex with agrocinopine D-like
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-15
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
1F1S
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BU of 1f1s by Molmil
CRYSTAL STRUCTURE OF STREPTOCOCCUS AGALACTIAE HYALURONATE LYASE AT 2.1 ANGSTROM RESOLUTION.
Descriptor: HYALURONATE LYASE
Authors:Li, S, Jedrzejas, M.J.
Deposit date:2000-05-19
Release date:2002-01-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hyaluronan binding and degradation by Streptococcus agalactiae hyaluronate lyase.
J.Biol.Chem., 276, 2001
1F3U
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BU of 1f3u by Molmil
CRYSTAL STRUCTURE OF THE RAP30/74 INTERACTION DOMAINS OF HUMAN TFIIF
Descriptor: TRANSCRIPTION INITIATION FACTOR IIF, ALPHA SUBUNIT, BETA SUBUNIT
Authors:Gaiser, F, Tan, S, Richmond, T.J.
Deposit date:2000-06-06
Release date:2000-10-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Novel dimerization fold of RAP30/RAP74 in human TFIIF at 1.7 A resolution.
J.Mol.Biol., 302, 2000
8EU0
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BU of 8eu0 by Molmil
Ancestral PETase 35_442 Mutant E27Q
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Ancestral PETase 35_442 Mutant E27Q
To Be Published
406D
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BU of 406d by Molmil
5'-R(*CP*AP*CP*CP*GP*GP*AP*UP*GP*GP*UP*(BRO) UP*CP*GP*GP*UP*G)-3'
Descriptor: RNA (5'-R(*CP*AP*CP*CP*GP*GP*AP*UP*GP*GP*UP*(5BU)P*CP*GP*GP*UP*G)-3')
Authors:Shah, S.A, Brunger, A.T.
Deposit date:1998-06-22
Release date:1999-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A crystal structure of a statically disordered 17 base-pair RNA duplex: principles of RNA crystal packing and its effect on nucleic acid structure.
J.Mol.Biol., 285, 1999
449D
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BU of 449d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX
Descriptor: 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
Deposit date:1999-01-20
Release date:2000-02-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
445D
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BU of 445d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', Benzimidazole derivative complex
Descriptor: 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
Deposit date:1999-01-14
Release date:2000-02-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
1FS7
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BU of 1fs7 by Molmil
CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES
Descriptor: ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ...
Authors:Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H.
Deposit date:2000-09-08
Release date:2001-01-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs.
J.Biol.Chem., 275, 2000
8G0T
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BU of 8g0t by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-02-01
Release date:2023-02-15
Last modified:2025-10-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery and mechanism of a highly selective, antifungal acetyl-CoA synthetase inhibitor.
Nat Commun, 16, 2025
6TT6
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BU of 6tt6 by Molmil
Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain
Descriptor: PD-i6 peptide
Authors:Guardiola, S, Varese, M, Garcia, J, Giralt, E.
Deposit date:2019-12-23
Release date:2021-01-13
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain
To Be Published
7RCF
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BU of 7rcf by Molmil
Fourth stage reengineered variant of I-OnuI with stability enhancing substitutions
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Ubilla-Rodriguez, N.C, Werther, R.A, Stoddard, B.L.
Deposit date:2021-07-07
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.233 Å)
Cite:Characterization of the stepwise engineering and optimization of a retargeted DNA binding protein and gene-editing meganuclease
To Be Published
8WN5
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BU of 8wn5 by Molmil
Crystal structure of GH1 beta-glucosidase Td2F2 E352Q glucose complex
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MALONIC ACID, beta-D-glucopyranose, ...
Authors:Lin, C.C, Lu, T.J, Fushinobu, S.
Deposit date:2023-10-05
Release date:2025-01-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Specific Hydrolysis and Synthesis of beta-1-2-glucosidic linkage by Glucose-tolerant beta-glucosidase Td2F2
To be published
8FWH
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BU of 8fwh by Molmil
Crystal structure of bivalent antibody Fab fragment of Anti-human LAG3 (22D2)
Descriptor: 1,2-ETHANEDIOL, Anti-human LAG3 (22D2) heavy chain, Anti-human LAG3 (22D2) light chain
Authors:Mishra, A.K, Agnihotri, P, Mariuzza, R.A.
Deposit date:2023-01-22
Release date:2023-09-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.833 Å)
Cite:CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
9IO0
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BU of 9io0 by Molmil
INTERACTION BETWEEN A FLUOROQUINOLONE DERIVATIVE KG022 AND RNAS: EFFECT OF BASE PAIRS 5' ADJACENT TO THE BULGE OUT ESIDUES
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA (5'-R(*GP*GP*AP*UP*GP*GP*UP*UP*UP*CP*GP*AP*CP*CP*GP*AP*UP*CP*C)-3')
Authors:Ichijo, R, Kawai, G.
Deposit date:2024-07-08
Release date:2025-04-02
Last modified:2025-06-04
Method:SOLUTION NMR
Cite:Specific Interaction between a Fluoroquinolone Derivative, KG022, and RNAs with a Single Bulge.
Biochemistry, 64, 2025

244349

数据于2025-11-05公开中

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