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7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
6CKK
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BU of 6ckk by Molmil
N. meningitidis CMP-sialic acid synthetase in the presence of CTP and Ca2+
分子名称: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, N-acylneuraminate cytidylyltransferase
著者Matthews, M.M, Fisher, A.J, Chen, X.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
6CKM
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BU of 6ckm by Molmil
N. meningitidis CMP-sialic acid synthetase in the presence of CMP-sialic acid and Ca2+
分子名称: CALCIUM ION, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, GLYCEROL, ...
著者Matthews, M.M, Fisher, A.J, Chen, X.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.543 Å)
主引用文献Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
6CKJ
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BU of 6ckj by Molmil
N. meningitidis CMP-sialic acid synthetase, ligand-free
分子名称: ACETATE ION, CALCIUM ION, N-acylneuraminate cytidylyltransferase
著者Matthews, M.M, Fisher, A.J, Chen, X.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
6MZT
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BU of 6mzt by Molmil
Solution structure of alpha-KTx-6.21 (UroTx) from Urodacus yaschenkoi
分子名称: Potassium channel toxin alpha-KTx 6.21
著者Chin, Y.K.-Y, Luna-Ramirez, K, Anangi, R, King, G.F.
登録日2018-11-05
公開日2020-03-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural basis of the potency and selectivity of Urotoxin, a potent Kv1 blocker from scorpion venom.
Biochem. Pharmacol., 174, 2020
6CKL
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BU of 6ckl by Molmil
N. meningitidis CMP-sialic acid synthetase in the presence of CMP and Neu5Ac2en
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CHLORIDE ION, CITRATE ANION, ...
著者Matthews, M.M, Fisher, A.J, Chen, X.
登録日2018-02-28
公開日2019-03-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.684 Å)
主引用文献Catalytic Cycle ofNeisseria meningitidisCMP-Sialic Acid Synthetase Illustrated by High-Resolution Protein Crystallography.
Biochemistry, 2019
6DWO
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BU of 6dwo by Molmil
Crystal structure of alpha-1-2-mannosidase from Enterococcus faecalis V583
分子名称: ACETATE ION, Alpha-1,2-mannosidase, CALCIUM ION, ...
著者Fisher, A.J, Li, Y.
登録日2018-06-26
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Enterococcus faecalis alpha 1-2-mannosidase (EfMan-I): an efficient catalyst for glycoprotein N-glycan modification.
Febs Lett., 594, 2020
8HL8
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BU of 8hl8 by Molmil
Crystal structrue of MtdL R257K mutant
分子名称: MANGANESE (II) ION, Transglycosylse
著者Li, F.D, He, C.
登録日2022-11-29
公開日2023-03-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
5ZQ1
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BU of 5zq1 by Molmil
Crystal structure of spRlmCD with U1939loop RNA at 3.10 angstrom
分子名称: RNA (5'-R(*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Yu, H.L, Jiang, Y.Y.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZQ0
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BU of 5zq0 by Molmil
Crystal structure of spRlmCD with U747loop RNA
分子名称: RNA (5'-R(*GP*UP*(MUM)P*GP*AP*AP*AP*A)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Jiang, Y.Y, Yu, H.L.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
5ZOL
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BU of 5zol by Molmil
Crystal structure of a three sites mutantion of FSAA complexed with HA and product
分子名称: (3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one, 1-hydroxypropan-2-one, CHLORIDE ION, ...
著者Wu, L, Yang, X.H, Yu, H.W, Zhou, J.H.
登録日2018-04-13
公開日2019-06-12
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.172 Å)
主引用文献The engineering of decameric d-fructose-6-phosphate aldolase A by combinatorial modulation of inter- and intra-subunit interactions.
Chem.Commun.(Camb.), 56, 2020
5ZQ8
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BU of 5zq8 by Molmil
Crystal structure of spRlmCD with U747 stemloop RNA
分子名称: NICKEL (II) ION, RNA (5'-R(*CP*CP*GP*UP*(MUM)P*GP*AP*AP*AP*AP*GP*G)-3'), S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Jiang, Y.Y, Yu, H.L.
登録日2018-04-17
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献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
分子名称: RNA (5'-R(P*AP*AP*AP*(MUM)P*UP*CP*CP*U)-3'), S-ADENOSYL-L-HOMOCYSTEINE, Uncharacterized RNA methyltransferase SP_1029
著者Jiang, Y.Y, Yu, H.L.
登録日2018-05-03
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Unveiling the structural features that determine the dual methyltransferase activities of Streptococcus pneumoniae RlmCD
PLoS Pathog., 14, 2018
6J7B
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BU of 6j7b by Molmil
Crystal structure of VASH1-SVBP in complex with epoY
分子名称: N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
著者Wang, N, Bao, H, Huang, H, Wu, B.
登録日2019-01-17
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.618 Å)
主引用文献Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis.
Cell Res., 29, 2019
2I6A
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BU of 2i6a by Molmil
Human Adenosine Kinase in Complex With 5'-Deoxy-5-Iodotubercidin
分子名称: 7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, Adenosine kinase
著者Muchmore, S.W.
登録日2006-08-28
公開日2007-01-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes.
J.Med.Chem., 49, 2006
6A0Z
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BU of 6a0z by Molmil
Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ...
著者Li, S, Li, T.
登録日2018-06-06
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.329 Å)
主引用文献Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
6A0X
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BU of 6a0x by Molmil
Crystal structure of broadly neutralizing antibody 13D4
分子名称: Antibody 13D4, Fab Heavy Chain, Fab Light Chain
著者Li, S, Li, T.
登録日2018-06-06
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
7XRQ
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BU of 7xrq by Molmil
The Catalytic Core Structure of Cystathionine beta-Synthase from Candida albicans
分子名称: Cystathionine beta-synthase, PHOSPHATE ION
著者Lou, H.X, Yu, H.N, Chang, W.Q.
登録日2022-05-11
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Inhibition of fungal pathogenicity by targeting the H 2 S-synthesizing enzyme cystathionine beta-synthase.
Sci Adv, 8, 2022
2GZM
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BU of 2gzm by Molmil
Crystal Structure of the Glutamate Racemase from Bacillus anthracis
分子名称: D-GLUTAMIC ACID, Glutamate racemase
著者May, M, Santarsiero, B.D, Johnson, M.E, Mesecar, A.D.
登録日2006-05-11
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design.
J.Mol.Biol., 371, 2007
2I6B
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BU of 2i6b by Molmil
Human Adenosine Kinase in Complex with An Acetylinic Inhibitor
分子名称: 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE, Adenosine kinase
著者Muchmore, S.W.
登録日2006-08-28
公開日2007-01-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes.
J.Med.Chem., 49, 2006
4K2C
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BU of 4k2c by Molmil
HSA Ligand Free
分子名称: Serum albumin
著者Wang, Y, Luo, Z, Shi, X, Huang, M.
登録日2013-04-08
公開日2013-05-01
最終更新日2018-02-21
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Structural mechanism of ring-opening reaction of glucose by human serum albumin.
J. Biol. Chem., 288, 2013
4KGC
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BU of 4kgc by Molmil
Nucleosome Core Particle Containing (ETA6-P-CYMENE)-(1, 2-ETHYLENEDIAMINE)-RUTHENIUM
分子名称: (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium, DNA (145-mer), Histone H2A, ...
著者Adhireksan, Z, Davey, C.A.
登録日2013-04-29
公開日2014-03-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity
Nat Commun, 5, 2014
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
分子名称: 3C-like proteinase nsp5
著者Zhang, L.J, Hu, Q.
登録日2023-07-25
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024

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