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6JDH
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Crystal structure of N-acetyl mannosmaine kinase from Pasteurella multocida
分子名称: GLYCEROL, N-acetylmannosamine kinase, ZINC ION
著者Thanuja, G, Ramaswamy, S.
登録日2019-02-01
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Function of N‐Acetylmannosamine Kinases from Pathogenic Bacteria.
Acs Omega, 5, 2020
6F9L
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BU of 6f9l by Molmil
Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose
分子名称: Beta-amylase, CHLORIDE ION, alpha-D-glucopyranose-(1-4)-3-deoxy-3-fluoro-alpha-D-glucopyranose
著者Tantanarat, K, Stevenson, C.E.M, Rejzek, M, Lawson, D.M, Field, R.A.
登録日2017-12-14
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of Barley Beta-Amylase complexed with 3-Deoxy-3-fluoro-maltose
To be published
6PUL
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BU of 6pul by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU
分子名称: 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ...
著者Awad, W, Keller, A.N, Rossjohn, J.
登録日2019-07-18
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
5VA6
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BU of 5va6 by Molmil
CRYSTAL STRUCTURE OF ATXR5 IN COMPLEX WITH HISTONE H3.1 MONO-METHYLATED ON R26
分子名称: Histone H3.1, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE
著者Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F.
登録日2017-03-24
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
6CNU
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BU of 6cnu by Molmil
Crystal Structure of JzTX-V
分子名称: BROMIDE ION, GLYCEROL, JzTx-V, ...
著者Min, X, Wang, Z.
登録日2018-03-09
公開日2019-03-06
最終更新日2020-03-04
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Discovery of Tarantula Venom-Derived NaV1.7-Inhibitory JzTx-V Peptide 5-Br-Trp24 Analogue AM-6120 with Systemic Block of Histamine-Induced Pruritis.
J. Med. Chem., 61, 2018
7L4J
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BU of 7l4j by Molmil
Crystal structure of WT PPM1H phosphatase
分子名称: MAGNESIUM ION, Protein phosphatase 1H
著者Khan, A.R, Waschbusch, D.
登録日2020-12-19
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献Structural basis for the specificity of PPM1H phosphatase for Rab GTPases.
Embo Rep., 22, 2021
6F9R
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BU of 6f9r by Molmil
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with Sampatrilat-Asp.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cozier, G.E, Acharya, K.R.
登録日2017-12-15
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity.
FEBS J., 285, 2018
7Q63
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BU of 7q63 by Molmil
The tandem SH2 domains of SYK
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
登録日2021-11-05
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The tandem SH2 domains of SYK
To Be Published
6YH0
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BU of 6yh0 by Molmil
Marasmius oreades agglutinin (MOA) in complex with the truncated PVPRAHS synthetic substrate
分子名称: Agglutinin, CALCIUM ION, CHLORIDE ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2020-03-28
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
7KK9
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BU of 7kk9 by Molmil
Fluoride channel Fluc-Ec2 mutant S81A/T82A with bromide
分子名称: BROMIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, Putative fluoride ion transporter CrcB, ...
著者McIlwain, B.C, Stockbridge, R.B.
登録日2020-10-27
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The fluoride permeation pathway and anion recognition in Fluc family fluoride channels.
Elife, 10, 2021
5UNS
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BU of 5uns by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5GGK
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BU of 5ggk by Molmil
Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Man-beta-pNP
分子名称: 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-mannopyranoside, DI(HYDROXYETHYL)ETHER, ...
著者Kuwabara, N, Senda, T, Kato, R.
登録日2016-06-16
公開日2016-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
8AGK
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BU of 8agk by Molmil
Botulinum neurotoxin subtype A6 cell binding domain in complex with GD1a ganglioside
分子名称: 1,2-ETHANEDIOL, Bont/A1, DI(HYDROXYETHYL)ETHER, ...
著者Gregory, K.S, Acharya, K.R, Liu, S.M, Newell, A.R, Mojanaga, O.O.
登録日2022-07-20
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structures of the Clostridium botulinum Neurotoxin A6 Cell Binding Domain Alone and in Complex with GD1a Reveal Significant Conformational Flexibility.
Int J Mol Sci, 23, 2022
5UO3
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BU of 5uo3 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
分子名称: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
7Q5W
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BU of 7q5w by Molmil
The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide
分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ...
著者Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
登録日2021-11-04
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The tandem SH2 domains of SYK
To Be Published
7L4F
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BU of 7l4f by Molmil
Crystal structure of the DRM2-CAT DNA complex
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*AP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*TP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), ...
著者Fang, J, Song, J.
登録日2020-12-19
公開日2021-08-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Substrate deformation regulates DRM2-mediated DNA methylation in plants.
Sci Adv, 7, 2021
6YHH
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BU of 6yhh by Molmil
X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL
著者Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J.
登録日2020-03-30
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae.
Sci Rep, 10, 2020
6CPE
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BU of 6cpe by Molmil
Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A
著者Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D.
登録日2018-03-13
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
分子名称: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
著者Baker, L.M, Murray, J.B, Hubbard, R.E.
登録日2022-07-21
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
7KM5
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BU of 7km5 by Molmil
Crystal structure of SARS-CoV-2 RBD complexed with Nanosota-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Spike protein S1, ...
著者Ye, G, Shi, K, Aihara, H, Li, F.
登録日2020-11-02
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The development of Nanosota - 1 as anti-SARS-CoV-2 nanobody drug candidates.
Elife, 10, 2021
5GGO
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BU of 5ggo by Molmil
Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with GalNac-beta1,3-GlcNAc-beta-pNP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
著者Kuwabara, N, Senda, T, Kato, R.
登録日2016-06-16
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
7Q5T
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BU of 7q5t by Molmil
The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ...
著者Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
登録日2021-11-04
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The tandem SH2 domains of SYK
To Be Published
5GW8
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BU of 5gw8 by Molmil
Crystal structure of a putative DAG-like lipase (MgMDL2) from Malassezia globosa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
著者Xu, J, Xu, H, Liu, J.
登録日2016-09-09
公開日2017-09-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Malassezia globosa MgMDL2 lipase: Crystal structure and rational modification of substrate specificity.
Biochem. Biophys. Res. Commun., 488, 2017
7L33
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BU of 7l33 by Molmil
X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer
分子名称: COPPER (II) ION, Cu-3SCC
著者Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D.
登録日2020-12-17
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
6CPO
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BU of 6cpo by Molmil
Crystal structure of DR15 presenting the RQ13 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Farenc, C, Gras, S, Rossjohn, J.
登録日2018-03-13
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018

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