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8SQF
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BU of 8sqf by Molmil
OXA-48 bound to inhibitor CDD-2725
Descriptor: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
Authors:Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2023-05-04
Release date:2024-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
8SQG
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BU of 8sqg by Molmil
OXA-48 bound to inhibitor CDD-2801
Descriptor: (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
Authors:Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T.
Deposit date:2023-05-04
Release date:2024-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-11-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
7XPR
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BU of 7xpr by Molmil
Crystal structrue of SeMet-MtdL:GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPV
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BU of 7xpv by Molmil
crysteal structure of MtdL-S228A-His soaked with GDP-Fucf and Mn
Descriptor: MANGANESE (II) ION, Transglycosylse, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPS
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BU of 7xps by Molmil
Crystal structrue of MtdL:GDP:Mn
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPT
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BU of 7xpt by Molmil
Crystal structrue of MtdL:GDP:Mn soaked with GDP-Glc
Descriptor: GDP-ALPHA-D-GLUCOSE, MANGANESE (II) ION, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7XPU
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BU of 7xpu by Molmil
crystal structure of MtdL-S228A-His soaked GDP-Fucp and Mn
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, MANGANESE (II) ION, ...
Authors:Li, F.D, He, C.
Deposit date:2022-05-05
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
7EVR
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BU of 7evr by Molmil
Crystal structure of hnRNP L RRM2 in complex with SETD2
Descriptor: Heterogeneous nuclear ribonucleoprotein L, SHI domain from Histone-lysine N-methyltransferase SETD2
Authors:Li, F.D, Wang, S.M.
Deposit date:2021-05-22
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the interaction between SETD2 methyltransferase and hnRNP L paralogs for governing co-transcriptional splicing.
Nat Commun, 12, 2021
7EVS
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BU of 7evs by Molmil
Crystal structure of hnRNP LL RRM2 in complex with SETD2
Descriptor: Heterogeneous nuclear ribonucleoprotein L-like, SHI domain from Histone-lysine N-methyltransferase SETD2, SULFATE ION
Authors:Li, F.D, Wang, S.M.
Deposit date:2021-05-22
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of the interaction between SETD2 methyltransferase and hnRNP L paralogs for governing co-transcriptional splicing.
Nat Commun, 12, 2021
7ENQ
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BU of 7enq by Molmil
Crystal structure of human NAMPT in complex with compound NAT
Descriptor: 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.204966 Å)
Cite:Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity.
Cell Res., 32, 2022
5Y5Q
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BU of 5y5q by Molmil
Crystal structure of the WSSV dUTPase D88N/R158E mutant in complex with dUTP
Descriptor: DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Wsv112
Authors:Ma, Q, Zang, K.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The dUTPase of white spot syndrome virus assembles its active sites in a noncanonical manner.
J. Biol. Chem., 293, 2018
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
Descriptor: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
Authors:Liu, J, Ruan, K.
Deposit date:2017-10-09
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
Descriptor: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-12-27
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
5Y5O
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BU of 5y5o by Molmil
Crystal structure of the dUTPase of white spot syndrome virus in the apo state
Descriptor: Wsv112
Authors:Ma, Q, Zang, K.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The dUTPase of white spot syndrome virus assembles its active sites in a noncanonical manner.
J. Biol. Chem., 293, 2018
5Y0U
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BU of 5y0u by Molmil
The solution structure of AEBP2 C2H2 zinc fingers
Descriptor: ZINC ION, Zinc finger protein AEBP2
Authors:Sun, A, Shi, Y, Wu, J.
Deposit date:2017-07-18
Release date:2018-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4.
Protein Cell, 9, 2018
4JLG
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BU of 4jlg by Molmil
SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine
Descriptor: 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ...
Authors:Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2013-03-12
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:(R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
7K5C
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BU of 7k5c by Molmil
Structure of T7 DNA ejectosome periplasmic tunnel
Descriptor: Internal virion protein gp15, Peptidoglycan transglycosylase gp16
Authors:Swanson, N, Cingolani, G, Pumroy, R.
Deposit date:2020-09-16
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of the periplasmic tunnel of T7 DNA-ejectosome at 2.7 angstrom resolution.
Mol.Cell, 81, 2021
8HOK
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BU of 8hok by Molmil
crystal structure of UGT71AP2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, UGT71AP2
Authors:Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'-O-glycosyltransferase from Scutellaria baicalensis.
Acta Pharm Sin B, 2024
8HOJ
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BU of 8hoj by Molmil
Crystal structure of UGT71AP2 in complex with UDP
Descriptor: UGT71AP2, URIDINE-5'-DIPHOSPHATE
Authors:Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'-O-glycosyltransferase from Scutellaria baicalensis.
Acta Pharm Sin B, 2024
5ZQ0
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BU of 5zq0 by Molmil
Crystal structure of spRlmCD with U747loop RNA
Descriptor: RNA (5'-R(*GP*UP*(MUM)P*GP*AP*AP*AP*A)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
Authors:Jiang, Y.Y, Yu, H.L.
Deposit date:2018-04-17
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
4I9U
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BU of 4i9u by Molmil
Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256
Descriptor: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
Authors:Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-05
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4L0K
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BU of 4l0k by Molmil
Crystal structure of a type II restriction endonuclease
Descriptor: DraIII
Authors:Zhuo, W, Ge, J, Yang, M.
Deposit date:2013-05-31
Release date:2014-05-14
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Elimination of inter-domain interactions increases the cleavage fidelity of the restriction endonuclease DraIII.
Protein Cell, 5, 2014
5ZQ1
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BU of 5zq1 by Molmil
Crystal structure of spRlmCD with U1939loop RNA at 3.10 angstrom
Descriptor: RNA (5'-R(*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
Authors:Yu, H.L, Jiang, Y.Y.
Deposit date:2018-04-17
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZTH
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BU of 5zth by Molmil
Crystal structure of spRlmCD with U1939loop RNA at 3.24 angstrom
Descriptor: RNA (5'-R(P*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
Authors:Jiang, Y.Y, Yu, H.L.
Deposit date:2018-05-03
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018

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數據於2024-06-26公開中

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