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7ZGF
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Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, apo-protein
分子名称: Multiple inositol-polyphosphate phosphatase
著者Acquistapace, I.M, Brearley, C.A, Hemmings, A.M.
登録日2022-04-03
公開日2022-05-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, apo-protein
To Be Published
7TQJ
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BU of 7tqj by Molmil
Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (1 mM KSeCN)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ...
著者Buscagan, T.M, Kaiser, J.T, Rees, D.C.
登録日2022-01-26
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
8VYT
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BU of 8vyt by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-411
分子名称: 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, Estrogen receptor
著者Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
登録日2024-02-09
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
5FO7
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BU of 5fo7 by Molmil
Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN
著者Forneris, F, Wu, J, Xue, X, Gros, P.
登録日2015-11-18
公開日2016-04-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
7PX0
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BU of 7px0 by Molmil
Drosophila melanogaster Aldehyde Oxidase 1
分子名称: AMMONIUM ION, Aldehyde oxidase 1, DI(HYDROXYETHYL)ETHER, ...
著者Vilela-Alves, G, Mota, C, Romao, M.J.
登録日2021-10-07
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Drosophila melanogaster's Aldehyde Oxidase 1: The First Invertebrate AOX structure
To Be Published
7TPZ
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BU of 7tpz by Molmil
Selenium-free nitrogenase Fe protein (Av2) from A. vinelandii (nucleotide control)
分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Buscagan, T.M, Kaiser, J.T, Rees, D.C.
登録日2022-01-26
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
8VYX
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BU of 8vyx by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-410
分子名称: 4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, Estrogen receptor
著者Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
登録日2024-02-09
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
7TQ0
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BU of 7tq0 by Molmil
Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (22 mM KSeCN, with Av1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ...
著者Buscagan, T.M, Kaiser, J.T, Rees, D.C.
登録日2022-01-26
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
7TPW
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BU of 7tpw by Molmil
Selenium-free nitrogenase Fe protein (Av2) from A. vinelandii
分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Buscagan, T.M, Kaiser, J.T, Rees, D.C.
登録日2022-01-26
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
7TQ9
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BU of 7tq9 by Molmil
Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (22 mM KSeCN, with Av1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ...
著者Buscagan, T.M, Kaiser, J.T, Rees, D.C.
登録日2022-01-26
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
8T87
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BU of 8t87 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1
分子名称: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION
著者Fellner, M.
登録日2023-06-22
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8VEK
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BU of 8vek by Molmil
IsPETase - ACC mutant
分子名称: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2023-12-19
公開日2024-06-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
5VLK
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BU of 5vlk by Molmil
Short PCSK9 delta-P' complex with shrunken peptide bearing homo-Arginine
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2 peptide, ACE-TRP-ASN-LEU-VAL-HRG-ILE-GLY-LEU-LEU peptide, CALCIUM ION, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5FT0
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BU of 5ft0 by Molmil
Crystal structure of gp37(Dip) from bacteriophage phiKZ
分子名称: ARGININE, GP37, POTASSIUM ION
著者Van den Bossche, A, Hardwick, S.W, Ceyssens, P.J, Hendrix, H, Voet, M, Dendooven, T, Bandyra, K.J, De Maeyer, M, Aertsen, A, Noben, J.P, Luisi, B.F, Lavigne, R.
登録日2016-01-08
公開日2016-08-03
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural elucidation of a novel mechanism for the bacteriophage-based inhibition of the RNA degradosome.
Elife, 5, 2016
5FU3
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BU of 5fu3 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
分子名称: CBM74-RFGH5, SODIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
登録日2016-01-20
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
7TSM
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BU of 7tsm by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl)pyridin-2-amine bishydrochloride
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7Q2I
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BU of 7q2i by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Tetrahydrofurfurylamine
分子名称: 1-[(2R)-oxolan-2-yl]methanamine, Cholinephosphate cytidylyltransferase, Guanidinium
著者Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
登録日2021-10-25
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
5FW1
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BU of 5fw1 by Molmil
Crystal structure of SpyCas9 variant VQR bound to sgRNA and TGAG PAM target DNA
分子名称: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ...
著者Anders, C, Bargsten, K, Jinek, M.
登録日2016-02-11
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Structural Plasticity of Pam Recognition by Engineered Variants of the RNA-Guided Endonuclease Cas9.
Mol.Cell, 61, 2016
5VFY
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BU of 5vfy by Molmil
Structure of an accessory protein of the pCW3 relaxosome
分子名称: TcpK
著者Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C.
登録日2017-04-10
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3.
Nat Commun, 9, 2018
6NB5
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BU of 6nb5 by Molmil
Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment
分子名称: LCA60 antigen-binding (Fab) fragment, heavy chain, light chain
著者Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-06
公開日2019-02-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
7TQI
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BU of 7tqi by Molmil
Selenium-incorporated nitrogenase Fe protein (Av2-Se) from A. vinelandii (11 mM KSeCN)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Fe4-Se4 cluster, IRON/SULFUR CLUSTER, ...
著者Buscagan, T.M, Kaiser, J.T, Rees, D.C.
登録日2022-01-26
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Selenocyanate derived Se-incorporation into the Nitrogenase Fe protein cluster.
Elife, 11, 2022
7TS8
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BU of 7ts8 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-chloro-6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenyl)ethynyl)pyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
5VLP
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BU of 5vlp by Molmil
PCSK9 complex with LDLR antagonist peptide and Fab7G7
分子名称: Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
7TSF
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BU of 7tsf by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
5VM6
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BU of 5vm6 by Molmil
The hapten triclocarban bound to the single domain camelid nanobody VHH T10
分子名称: N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea, SODIUM ION, SULFATE ION, ...
著者Tabares-da Rosa, S, Gonzalez-Sapienza, G, Wilson, D.K.
登録日2017-04-26
公開日2018-05-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure and specificity of several triclocarban-binding single domain camelid antibody fragments.
J. Mol. Recognit., 32, 2019

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