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6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6KJR
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BU of 6kjr by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid, Putative beta-lactamase
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJH
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BU of 6kjh by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: Putative beta-lactamase, SULFATE ION
Authors:Xiao, F, Sheng, D, Feng, Y, Li, W.
Deposit date:2019-07-22
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJQ
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BU of 6kjq by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJP
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BU of 6kjp by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase, SULFATE ION
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJJ
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BU of 6kjj by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-22
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.492 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KTC
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BU of 6ktc by Molmil
Crystal structure of YBX1 CSD with m5C RNA
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*(5MC)P*CP*U)-3')
Authors:Zou, F, Li, S.
Deposit date:2019-08-27
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KJT
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BU of 6kjt by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
Descriptor: Putative beta-lactamase, SUCCINIC ACID
Authors:Xiao, F, Dong, S, Feng, Y, Li, W.
Deposit date:2019-07-23
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KUG
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BU of 6kug by Molmil
Crystal structure of YBX1 CSD with RNA
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*CP*CP*U)-3')
Authors:Zou, F, Li, S.
Deposit date:2019-09-02
Release date:2020-02-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
7EI1
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BU of 7ei1 by Molmil
Structure of Pyrococcus furiosus Cas1Cas2 complex
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2
Authors:Yu, Y, Chen, Q.
Deposit date:2021-03-30
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:A distinct structure of Cas1-Cas2 complex provides insights into the mechanism for the longer spacer acquisition in Pyrococcus furiosus.
Int.J.Biol.Macromol., 183, 2021
5Y28
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BU of 5y28 by Molmil
Crystal structure of H. pylori HtrA with PDZ2 deletion
Descriptor: 1,2-ETHANEDIOL, Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK-UNK
Authors:Zhang, Z, Huang, Q, Tao, X.
Deposit date:2017-07-24
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.08606815 Å)
Cite:The unique trimeric assembly of the virulence factor HtrA fromHelicobacter pylorioccurs via N-terminal domain swapping.
J.Biol.Chem., 294, 2019
7ENS
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BU of 7ens by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Indolmycin and ATP
Descriptor: (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-04-19
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7EL8
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BU of 7el8 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase
Descriptor: Tryptophan--tRNA ligase
Authors:Xu, M, Chen, S.
Deposit date:2021-04-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
7ENT
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BU of 7ent by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-13 and ATP
Descriptor: (5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-04-19
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
5Y2D
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BU of 5y2d by Molmil
Crystal structure of H. pylori HtrA
Descriptor: Periplasmic serine endoprotease DegP-like, UNK-UNK-K-UNK-UNK-UNK-UNK-UNK-UNK-UNK, UNK-UNK-UNK, ...
Authors:Zhang, Z, Huang, Q, Tao, X.
Deposit date:2017-07-25
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.70009851 Å)
Cite:The unique trimeric assembly of the virulence factor HtrA fromHelicobacter pylorioccurs via N-terminal domain swapping.
J.Biol.Chem., 294, 2019
5F4H
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BU of 5f4h by Molmil
Archael RuvB-like Holiday junction helicase
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Nucleotide binding protein PINc
Authors:Zhai, B, DuPrez, K.T, Doukov, T.I, Shen, Y, Fan, L.
Deposit date:2015-12-03
Release date:2016-12-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Structure and Function of a Novel ATPase that Interacts with Holliday Junction Resolvase Hjc and Promotes Branch Migration.
J. Mol. Biol., 429, 2017
5XZR
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BU of 5xzr by Molmil
The atomic structure of SHP2 E76A mutant in complex with allosteric inhibitor 9b
Descriptor: 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Li, D, Xie, J, Zhu, J, Liu, C.
Deposit date:2017-07-13
Release date:2017-12-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric Inhibitors of SHP2 with Therapeutic Potential for Cancer Treatment.
J. Med. Chem., 60, 2017
7EWX
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BU of 7ewx by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (P78A mutant)
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWY
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BU of 7ewy by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (D79A mutant)
Descriptor: Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWV
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BU of 7ewv by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (H34A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX1
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BU of 7ex1 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (Y109A mutant)
Descriptor: CHLORIDE ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWW
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BU of 7eww by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (N52A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWU
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BU of 7ewu by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (WT)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EWZ
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BU of 7ewz by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (D92A mutant)
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022
7EX0
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BU of 7ex0 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease (K108A mutant)
Descriptor: MANGANESE (II) ION, Replicase
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Insights into Two-Metal-Ion Catalytic Mechanism of Cap-Snatching Endonuclease of Ebinur Lake Virus in Bunyavirales.
J.Virol., 96, 2022

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