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2Z4W
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S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749
分子名称: Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, [(6E,11E)-2,6,12,16-tetramethylheptadeca-2,6,11,15-tetraene-9,9-diyl]bis(phosphonic acid)
著者Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
登録日2007-06-26
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
5M0P
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BU of 5m0p by Molmil
Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid
分子名称: PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, Terminal olefin-forming fatty acid decarboxylase, ...
著者Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C.
登録日2016-10-05
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017
5U3A
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BU of 5u3a by Molmil
Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Caner, S, Brayer, G.D.
登録日2016-12-01
公開日2017-12-06
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
5LI6
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BU of 5li6 by Molmil
Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126, ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide
著者Levy, C, Munro, A.W, Leys, D.
登録日2016-07-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
8IWD
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BU of 8iwd by Molmil
Aspergillus niger Rha-2
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, L.J, Li, L, Wang, M.H, Jiang, Z.D, Zhu, Y.B, Jin, T.C, Ni, H.
登録日2023-03-29
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal structure and catalytic function of alpha-L-rhamnosidase from Aspergillus niger
To Be Published
5M0X
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BU of 5m0x by Molmil
Structure of apo structure of GH36 alpha-galactosidase from Thermotoga maritima
分子名称: Alpha-galactosidase, MAGNESIUM ION, SULFATE ION
著者Pengelly, R, Gloster, T.
登録日2016-10-06
公開日2016-11-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
6GE3
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BU of 6ge3 by Molmil
X-ray structure of TEAD4 (wildtype) complexed with YAP (wildtype): The role of residual flexibility and water molecules in the adaptation of a bound intrinsically disordered protein to mutations at a binding interface
分子名称: GLYCEROL, MYRISTIC ACID, Transcriptional coactivator YAP1, ...
著者Kallen, J.
登録日2018-04-25
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface.
Protein Sci., 27, 2018
3NYJ
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BU of 3nyj by Molmil
Crystal Structure Analysis of APP E2 domain
分子名称: Amyloid beta A4 protein, OSMIUM ION
著者Ha, Y, Hu, J, Lee, S, Liu, X.
登録日2010-07-15
公開日2011-06-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The E2 Domains of APP and APLP1 Share a Conserved Mode of Dimerization.
Biochemistry, 50, 2011
8J0N
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BU of 8j0n by Molmil
cryo-EM structure of human EMC
分子名称: ER membrane protein complex subunit 1, ER membrane protein complex subunit 10, ER membrane protein complex subunit 2, ...
著者Li, M, Zhang, C, Wu, J, Lei, M.
登録日2023-04-11
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural insights into human EMC and its interaction with VDAC.
Aging (Albany NY), 16, 2024
5LIN
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BU of 5lin by Molmil
Lysozyme, collected at rotation 1 degree per second
分子名称: CHLORIDE ION, Lysozyme C
著者Casanas, A, Finke, A, Wang, M.
登録日2016-07-15
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献EIGER detector: application in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
1F1W
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BU of 1f1w by Molmil
SRC SH2 THREF1TRP MUTANT COMPLEXED WITH THE PHOSPHOPEPTIDE S(PTR)VNVQN
分子名称: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, S(PTR)VNVQN PHOSPHOPEPTIDE
著者Kimber, M.S, Nachman, J, Cunningham, A.M, Gish, G.D, Pawson, T, Pai, E.F.
登録日2000-05-20
公開日2000-07-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for specificity switching of the Src SH2 domain.
Mol.Cell, 5, 2000
8D8P
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BU of 8d8p by Molmil
Crystal structure of a novel fatty acid decarboxylase from Rothia nasimurium
分子名称: Decarboxylase, PALMITIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Vieira, P.S, Murakami, M.T, Zanphorlin, L.M.
登録日2022-06-08
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of a novel fatty acid decarboxylase from Rothia nasimurium
Proc.Natl.Acad.Sci.USA, 2023
8DHL
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BU of 8dhl by Molmil
Tannerella forsythia beta-glucuronidase (L2)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 2, ...
著者Lietzan, A.D, Redinbo, M.R.
登録日2022-06-27
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Microbial beta-glucuronidases drive human periodontal disease etiology.
Sci Adv, 9, 2023
6G3W
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BU of 6g3w by Molmil
Crystal structure of the BIR3 - SERK2 complex from Arabidopsis thaliana.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Hothorn, M, Hohmann, U.
登録日2018-03-26
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The SERK3 elongated allele defines a role for BIR ectodomains in brassinosteroid signalling.
Nat Plants, 4, 2018
1F5F
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BU of 1f5f by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Avvakumov, V.A, Muller, Y.A, Hammond, G.L.
登録日2000-06-14
公開日2000-09-06
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Steroid-binding specificity of human sex hormone-binding globulin is influenced by occupancy of a zinc-binding site.
J.Biol.Chem., 275, 2000
5LK2
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BU of 5lk2 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 300 mM KCL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
著者Guardado-Calvo, P, Rey, F.A.
登録日2016-07-20
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
7KWA
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BU of 7kwa by Molmil
Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide
分子名称: Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
著者Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C.
登録日2020-11-30
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.572 Å)
主引用文献Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M.
J.Med.Chem., 64, 2021
8CZZ
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BU of 8czz by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074
分子名称: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M.
登録日2022-05-25
公開日2023-05-31
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
5U8W
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BU of 5u8w by Molmil
Dihydrolipoamide dehydrogenase (LpdG) from Pseudomonas aeruginosa bound to NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Dihydrolipoyl dehydrogenase, ...
著者Glasser, N.R, Wang, B.X, Hoy, J.A, Newman, D.K.
登録日2016-12-15
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The Pyruvate and alpha-Ketoglutarate Dehydrogenase Complexes of Pseudomonas aeruginosa Catalyze Pyocyanin and Phenazine-1-carboxylic Acid Reduction via the Subunit Dihydrolipoamide Dehydrogenase.
J. Biol. Chem., 292, 2017
7L1Y
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BU of 7l1y by Molmil
Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium-xylobiose complex
分子名称: 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E.
登録日2020-12-15
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium.
Biotechnol.Bioeng., 118, 2021
6GEE
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BU of 6gee by Molmil
TEAD4 (216-434);E263A COMPLEXED WITH YAP PEPTIDE (60-100); S94A AND MYRISTOATE (COVALENTLY BOUND) AT 1.96A (P41212 CRYSTAL FORM); MYRISTOYLATION WAS DONE BY ADDING MYR-COA
分子名称: MYRISTIC ACID, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-3
著者Kallen, J.
登録日2018-04-26
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface.
Protein Sci., 27, 2018
8D5T
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BU of 8d5t by Molmil
Crystal structure of hen egg white lysozyme at 100 Kelvin (Duplicate)
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8IUS
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BU of 8ius by Molmil
Crystal structure of Manganese-free N(omega)-hydroxy-L-arginine hydrolase with reduced Cys86
分子名称: MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase
著者Oda, K, Matoba, Y.
登録日2023-03-25
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Copper inactivates DcsB by oxidation of the Cys86 to cysteine sulfinic aicd
To Be Published
8D69
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BU of 8d69 by Molmil
Crystal structure of hen egg white lysozyme at 175 Kelvin
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8IUU
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BU of 8iuu by Molmil
Crystal structure of Manganese-rebound N(omega)-hydroxy-L-arginine hydrolase with oxidized Cys86
分子名称: MAGNESIUM ION, MANGANESE (II) ION, N(omega)-hydroxy-L-arginine amidinohydrolase
著者Oda, K, Matoba, Y.
登録日2023-03-25
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Copper inactivates DcsB by oxidation of the Cys86 to cysteine sulfinic aicd
To Be Published

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