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4YSF
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Resting state of rat cysteine dioxygenase H155N variant
分子名称: Cysteine dioxygenase type 1, FE (II) ION
著者Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-03-17
公開日2016-07-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Resting state of rat cysteine dioxygenase H155N variant
To be published
8G0P
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BU of 8g0p by Molmil
Crystal structure of the human Ndc80:Nuf2 loop region
分子名称: Kinetochore protein NDC80 homolog, Kinetochore protein Nuf2
著者Zahm, J.A, Jenni, S, Harrison, S.C.
登録日2023-02-01
公開日2023-03-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Ndc80 complex and its interactions at the yeast kinetochore-microtubule interface.
Open Biology, 13, 2023
4YIQ
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BU of 4yiq by Molmil
Structure of the CEACAM6-CEACAM8 heterodimer
分子名称: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 6, Carcinoembryonic antigen-related cell adhesion molecule 8, ...
著者Bonsor, D.A, Sundberg, E.J.
登録日2015-03-02
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Diverse oligomeric states of CEACAM IgV domains.
Proc.Natl.Acad.Sci.USA, 112, 2015
6VYD
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BU of 6vyd by Molmil
Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Benzyltriethylammonium cation
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-02-26
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases.
Nat Commun, 11, 2020
6W0D
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BU of 6w0d by Molmil
Open-gate KcsA soaked in 5 mM BaCl2
分子名称: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.639 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0J
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BU of 6w0j by Molmil
Closed-gate KcsA incubated in BaCl2/NaCl
分子名称: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0V
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BU of 6w0v by Molmil
The Crystal Structure of the Mutant Nuclease Domain of Pyocin S8 with its Cognate Immunity Protein
分子名称: Bacteriocin immunity protein, Pyocin S8
著者Turano, H, Gomes, F, Domingos, R.M, Netto, L.E.S.
登録日2020-03-03
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.381 Å)
主引用文献Molecular Structure and Functional Analysis of Pyocin S8 from Pseudomonas aeruginosa Reveals the Essential Requirement of a Glutamate Residue in the H-N-H Motif for DNase Activity.
J.Bacteriol., 202, 2020
8FJZ
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BU of 8fjz by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
著者McTigue, M, Johnson, E, Cronin, C.
登録日2022-12-20
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
6W0W
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BU of 6w0w by Molmil
Structure of KHK in complex with compound 3
分子名称: 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
8GTK
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BU of 8gtk by Molmil
Crystal structure of IpaH7.8-LRR and GSDMB isoform-1 complex
分子名称: GSDMB isoform-1, Probable E3 ubiquitin-protein ligase ipaH7.8
著者Zhong, X, Hou, Y.J, Ding, J.
登録日2022-09-08
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural mechanisms for regulation of GSDMB pore-forming activity.
Nature, 616, 2023
8FUM
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BU of 8fum by Molmil
AibH1H2 metalated with Fe in the presence of Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amidohydrolase, DI(HYDROXYETHYL)ETHER, ...
著者Powell, M.M, Rittle, J.
登録日2023-01-17
公開日2023-04-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor.
J.Am.Chem.Soc., 145, 2023
6W26
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BU of 6w26 by Molmil
Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Imidazole
分子名称: 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-03-05
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases.
Nat Commun, 11, 2020
5KKH
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BU of 5kkh by Molmil
2.1-Angstrom In situ Mylar structure of bacteriorhodopsin from Haloquadratum walsbyi (HwBR) at 100 K
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin-I, ...
著者Broecker, J, Ernst, O.P.
登録日2016-06-21
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.125 Å)
主引用文献A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals.
Cryst Growth Des, 16, 2016
8FJ3
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BU of 8fj3 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7(Y13A)
分子名称: C-C motif chemokine 7, Evasin P1243
著者Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2022-12-19
公開日2023-03-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
6W3D
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BU of 6w3d by Molmil
Rd1NTF2_05 with long sheet
分子名称: Rd1NTF2_05
著者Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
5KYE
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BU of 5kye by Molmil
Crystal structure of USP7 catalytic domain [H294E] mutant in complex with ubiquitin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
6W3G
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BU of 6w3g by Molmil
Rd1NTF2_04 with long sheet
分子名称: Rd1NTF2_04
著者Bick, M.J, Basanta, B, Sankaran, B, Baker, D.
登録日2020-03-09
公開日2020-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
4YNI
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BU of 4yni by Molmil
Iron free succinate bound rat cysteine dioxygenase
分子名称: Cysteine dioxygenase type 1, SODIUM ION, SUCCINIC ACID
著者Fellner, M, Tchesnokov, E.P, Jameson, G.N.L, Wilbanks, S.M.
登録日2015-03-10
公開日2016-03-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Iron free succinate bound rat cysteine dioxygenase
To be published
5KMB
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BU of 5kmb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Trp phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~ {S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6W32
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BU of 6w32 by Molmil
Crystal structure of Sfh5
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5
著者Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A.
登録日2020-03-08
公開日2020-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Elife, 9, 2020
5KMP
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BU of 5kmp by Molmil
The structure of G164E variant of type II NADH dehydrogenase from Caldalkalibacillus thermarum
分子名称: FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
著者Cook, G.M, Aragao, D, Nakatani, Y.
登録日2016-06-27
公開日2017-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
6W3S
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BU of 6w3s by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-leucine
分子名称: GLYCEROL, LEUCINE, Methyl-accepting chemotaxis protein, ...
著者Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
登録日2020-03-09
公開日2020-05-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
8ID2
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BU of 8id2 by Molmil
Crystal structure of the ubiquitin-like domain in the SF3A1 subunit of human U2 snRNP complexed with the stem-loop 4 of U1 snRNA
分子名称: RNA (5'-R(*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), Splicing factor 3A subunit 1
著者Terawaki, S, Nameki, N, Kuwasako, K.
登録日2023-02-12
公開日2023-05-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into recognition of SL4, the UUCG stem-loop, of human U1 snRNA by the ubiquitin-like domain, including the C-terminal tail in the SF3A1 subunit of U2 snRNP.
J.Biochem., 174, 2023
8FUN
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BU of 8fun by Molmil
Enzymatically Active, Mn/Fe Metallated Form of AibH1H2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amidohydrolase, FE (III) ION, ...
著者Powell, M.M, Rittle, J.
登録日2023-01-17
公開日2023-04-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor.
J.Am.Chem.Soc., 145, 2023
8FJ2
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BU of 8fj2 by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001(C8) Complexed to Human Chemokine CCL17
分子名称: C-C motif chemokine 17, Evasin P1243
著者Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2022-12-19
公開日2023-03-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023

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