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3SAL
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BU of 3sal by Molmil
Crystal Structure of Influenza A Virus Neuraminidase N5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Wang, M.Y, Qi, J.X, Liu, Y, Vavricka, C.J, Wu, Y, Li, Q, Gao, G.F.
登録日2011-06-03
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Influenza a virus n5 neuraminidase has an extended 150-cavity
J.Virol., 85, 2011
6ZGO
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BU of 6zgo by Molmil
Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2020-06-19
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
To be published
6R8A
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BU of 6r8a by Molmil
Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with L-methionine
分子名称: Glutamate receptor 3.3,Glutamate receptor 3.3, METHIONINE, SODIUM ION, ...
著者Alfieri, A, Pederzoli, R, Costa, A.
登録日2019-04-01
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel.
Proc.Natl.Acad.Sci.USA, 117, 2020
4R48
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BU of 4r48 by Molmil
Racemic crystal structure of a calcium-bound DNA four-way junction
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
7XMS
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BU of 7xms by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMR
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BU of 7xmr by Molmil
CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMT
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BU of 7xmt by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) with Gi1 and J-2156
分子名称: (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7Y94
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BU of 7y94 by Molmil
Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with Adenine
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENINE, ...
著者Yadav, P, Kushwaha, G.S, Bhavesh, N.S.
登録日2022-06-24
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Escherichia coli Adenine Phosphoribosyltransferase (APRT) in complex with Adenine
To Be Published
6TSO
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BU of 6tso by Molmil
Marasmius oreades agglutinin (MOA) inhibited by cadmium
分子名称: 1,2-ETHANEDIOL, Agglutinin, CADMIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-20
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 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
6R5H
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BU of 6r5h by Molmil
Major aspartyl peptidase 1 from C. neoformans
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
著者Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
登録日2019-03-25
公開日2021-04-07
最終更新日2021-06-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery.
J.Med.Chem., 64, 2021
6R61
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BU of 6r61 by Molmil
Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
分子名称: (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
登録日2019-03-26
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
To Be Published
6R6A
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BU of 6r6a by Molmil
Major aspartyl peptidase 1 from C. neoformans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endopeptidase, ...
著者Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
登録日2019-03-26
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery.
J.Med.Chem., 64, 2021
7ACG
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BU of 7acg by Molmil
In meso structure of the alginate exporter, AlgE, from Pseudomonas aeruginosa in 9.8 monoacylglycerol
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-(2-METHOXYETHOXY)ETHANOL, Alginate biosynthesis protein AlgE, ...
著者Smithers, L, van Dalsen, L, Boland, C, Caffrey, M.
登録日2020-09-10
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献9.8 MAG. A new host lipid for in meso (lipid cubic phase) crystallization of integral membrane proteins
Cryst.Growth Des., 2020
6TSD
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BU of 6tsd by Molmil
Crystal structure of human coxsackievirus A24v in complex with pentavalent inhibitor ME0752
分子名称: CALCIUM ION, CHLORIDE ION, Capsid protein VP1, ...
著者Zocher, G, Stehle, T.
登録日2019-12-20
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Pentavalent Sialic Acid Conjugates Block Coxsackievirus A24 Variant and Human Adenovirus Type 37-Viruses That Cause Highly Contagious Eye Infections.
Acs Chem.Biol., 15, 2020
6RGU
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BU of 6rgu by Molmil
Photorhabdus asymbiotica lectin PHL in complex with 3-O-methyl-D-glucose
分子名称: 3-O-methyl-beta-D-glucopyranose, CHLORIDE ION, Lectin PHL, ...
著者Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M.
登録日2019-04-17
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6TCJ
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BU of 6tcj by Molmil
Crystal structure of the BCL6 BTB domain in complex with a hybrid BTB-binding (HBP) peptide
分子名称: B-cell lymphoma 6 protein, Hybrid BTB-binding (HBP) peptide, SODIUM ION
著者Zacharchenko, T, Wright, S.C.
登録日2019-11-06
公開日2021-10-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis of Apt48 inhibition of the BCL6 BTB domain.
Structure, 2021
6RNC
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BU of 6rnc by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Mehrabi, P, Schulz, E.C, Miller, R.J.D.
登録日2019-05-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
6ZXX
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BU of 6zxx by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged.
分子名称: 3 bromo 4 hydroxybenzoic acid, 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid, BROMIDE ION, ...
著者Leys, D, Halliwell, T.
登録日2020-07-30
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
6ROT
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BU of 6rot by Molmil
Thrombin in complex with MI2105
分子名称: (2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2019-05-13
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.339 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
6RPJ
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BU of 6rpj by Molmil
A Non-blocking anti-CTLA-4 Nanobody complexed with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, A non-blocking CTLA-4 nanobody, Cytotoxic T-lymphocyte protein 4, ...
著者Gao, H, Zhou, A, Zhang, F.
登録日2019-05-14
公開日2020-07-08
最終更新日2020-11-11
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A Non-blocking anti-CTLA-4 Nanobody complexed with CTLA-4
To Be Published
6ZXT
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BU of 6zxt by Molmil
High resolution crystal structure of chloroplastic ribose-5-phosphate isomerase from Chlamydomonas reinhardtii
分子名称: Ribose-5-phosphate isomerase, SODIUM ION, SULFATE ION
著者Le Moigne, T, Crozet, P, Lemaire, S.D, Henri, J.
登録日2020-07-30
公開日2020-11-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-Resolution Crystal Structure of Chloroplastic Ribose-5-Phosphate Isomerase from Chlamydomonas reinhardtii -An Enzyme Involved in the Photosynthetic Calvin-Benson Cycle.
Int J Mol Sci, 21, 2020
6ZXU
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BU of 6zxu by Molmil
Catabolic reductive dehalogenase NpRdhA, N-terminally tagged.
分子名称: CHLORIDE ION, COBALAMIN, IRON/SULFUR CLUSTER, ...
著者Leys, D, Halliwell, T.
登録日2020-07-30
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
Microorganisms, 8, 2020
6RNB
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BU of 6rnb by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Mehrabi, P, Schulz, E.C, Miller, R.J.D.
登録日2019-05-08
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
6ZYR
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BU of 6zyr by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
7Y52
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BU of 7y52 by Molmil
Crystal structure of peptidyl-tRNA hydrolase from Enterococcus faecium
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peptidyl-tRNA hydrolase, ...
著者Pandey, R, Zohib, M, Mundra, S, Pal, R.K, Arora, A.
登録日2022-06-16
公開日2024-01-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Characterization of structure of peptidyl-tRNA hydrolase from Enterococcus faecium and its inhibition by a pyrrolinone compound.
Int.J.Biol.Macromol., 275, 2024

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