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7TC5
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BU of 7tc5 by Molmil
All Phe-Azurin variant - F15Y
分子名称: Azurin, COPPER (II) ION, NITRATE ION, ...
著者Fedoretz-Maxwell, B.P, Worrall, L.J, Strynadka, N.C.J, Warren, J.J.
登録日2021-12-22
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Impact of Second Coordination Sphere Methionine-Aromatic Interactions in Copper Proteins.
Inorg.Chem., 61, 2022
6FA3
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BU of 6fa3 by Molmil
Antibody derived (Abd-6) small molecule binding to KRAS.
分子名称: DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2017-12-15
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
5BJX
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BU of 5bjx by Molmil
X-ray structure of the PglF 4,6-dehydratase from campylobacter jejuni, variant T395V, in complex with UDP
分子名称: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
著者Riegert, A.S, Thoden, J.B, Holden, H.M.
登録日2017-09-12
公開日2017-11-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Biochemical Investigation of PglF from Campylobacter jejuni Reveals a New Mechanism for a Member of the Short Chain Dehydrogenase/Reductase Superfamily.
Biochemistry, 56, 2017
7WBQ
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BU of 7wbq by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor human ACE2
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, Angiotensin-converting enzyme 2, ...
著者Qi, J, Han, P.
登録日2021-12-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
6UZB
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BU of 6uzb by Molmil
Anthrax toxin protective antigen channels bound to edema factor
分子名称: CALCIUM ION, Calmodulin-sensitive adenylate cyclase, Protective antigen
著者Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A.
登録日2019-11-14
公開日2020-03-04
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors.
Nat Commun, 11, 2020
5I58
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BU of 5i58 by Molmil
GLUTAMATE- AND GLYCINE-BOUND GLUN1/GLUN2A AGONIST BINDING DOMAINS WITH MPX-004
分子名称: 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide, GLUTAMIC ACID, GLYCINE, ...
著者Mou, T.-C, Sprang, S.R, Hansen, K.B.
登録日2016-02-14
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural Basis for Negative Allosteric Modulation of GluN2A-Containing NMDA Receptors.
Neuron, 91, 2016
8A0M
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BU of 8a0m by Molmil
Capsular polysaccharide synthesis multienzyme in complex with capsular polymer fragment
分子名称: Bcs3, MAGNESIUM ION, beta-D-ribosyl-(1->1)-D-ribitol-5-phosphate
著者Cifuente, J.O, Schulze, J, Bethe, A, Di Domenico, V, Litschko, C, Budde, I, Eidenberger, L, Thiesler, H, Ramon-Roth, I, Berger, M, Claus, H, DAngelo, C, Marina, A, Gerardy-Schahn, R, Schubert, M, Guerin, M.E, Fiebig, T.
登録日2022-05-29
公開日2023-04-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule.
Nat.Chem.Biol., 19, 2023
6J7W
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BU of 6j7w by Molmil
Crystal Structure of Human BCMA in complex with UniAb(TM) VH
分子名称: Tumor necrosis factor receptor superfamily member 17, UniAb
著者Clarke, S.C, Ma, B, Trinklein, N.D, Schellenberger, U, Osborn, M, Ouisse, L, Boudreau, A, Davison, L, Harris, K.E, Ugamraj, H, Balasubramani, A, Dang, K, Jorgensen, B, Ogana, H, Pham, D, Pratap, P, Sankaran, P, Anegon, I, van Schooten, W, Bruggemann, M, Buelow, R, Force Aldred, S.
登録日2019-01-18
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Multispecific Antibody Development Platform Based on Human Heavy Chain Antibodies
Front Immunol, 9, 2018
6FA2
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BU of 6fa2 by Molmil
Antibody derived (Abd-5) small molecule binding to KRAS.
分子名称: 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2017-12-15
公開日2018-09-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
7SUV
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BU of 7suv by Molmil
APE1 exonuclease substrate complex with 8oxoG opposite A
分子名称: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
著者Whitaker, A.W, Freudenthal, B.D.
登録日2021-11-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Processing oxidatively damaged bases at DNA strand breaks by APE1.
Nucleic Acids Res., 50, 2022
8FYQ
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BU of 8fyq by Molmil
MicroED structure of Proteinase K from argon milled lamellae
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
実験手法ELECTRON CRYSTALLOGRAPHY (1.4 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
5KPN
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BU of 5kpn by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L.
登録日2016-07-05
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
8FYR
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BU of 8fyr by Molmil
MicroED structure of Proteinase K from oxygen milled lamellae
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
実験手法ELECTRON CRYSTALLOGRAPHY (1.5 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
8FYP
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BU of 8fyp by Molmil
MicroED structure of Proteinase K from xenon milled lamellae
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
実験手法ELECTRON CRYSTALLOGRAPHY (1.45 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
5IEI
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BU of 5iei by Molmil
X-ray crystallographic structure of a high affinity IGF2 antagonist (Domain11 AB5 RHH) based on human IGF2R domain 11
分子名称: 1,2-ETHANEDIOL, Cation-independent mannose-6-phosphate receptor, GLYCEROL, ...
著者Nicholls, R.D, Williams, C, Strickland, M, Frago, S, Hassan, A.B, Crump, M.P.
登録日2016-02-25
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist.
Proc.Natl.Acad.Sci.USA, 113, 2016
8FYS
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BU of 8fys by Molmil
MicroED structure of Proteinase K from nitrogen milled lamellae
分子名称: CALCIUM ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
実験手法ELECTRON CRYSTALLOGRAPHY (1.8 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
7TE2
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BU of 7te2 by Molmil
Crystal Structure of AerR from Rhodobacter capsulatus at 2.25 A.
分子名称: AerR, CHLORIDE ION, COBALAMIN, ...
著者Dragnea, V, Gonzalez-Gutierrez, G, Bauer, C.E.
登録日2022-01-04
公開日2022-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Analyses of CrtJ and Its B 12 -Binding Co-Regulators SAerR and LAerR from the Purple Photosynthetic Bacterium Rhodobacter capsulatus.
Microorganisms, 10, 2022
1BA0
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BU of 1ba0 by Molmil
HEAT-SHOCK COGNATE 70KD PROTEIN 44KD ATPASE N-TERMINAL 1NGE 3
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, HEAT-SHOCK COGNATE 70KD PROTEIN, ...
著者Wilbanks, S.M, Mckay, D.B.
登録日1998-04-21
公開日1998-07-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural replacement of active site monovalent cations by the epsilon-amino group of lysine in the ATPase fragment of bovine Hsc70.
Biochemistry, 37, 1998
8PHW
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BU of 8phw by Molmil
Human OATP1B1
分子名称: CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ...
著者Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P.
登録日2023-06-20
公開日2023-09-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
7SVB
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BU of 7svb by Molmil
APE1 exonuclease substrate complex with 8oxoG opposite C
分子名称: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
著者Whitaker, A.W, Freudenthal, B.D.
登録日2021-11-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Processing oxidatively damaged bases at DNA strand breaks by APE1.
Nucleic Acids Res., 50, 2022
7ALN
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BU of 7aln by Molmil
Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ...
著者Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D.
登録日2020-10-06
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity.
Nat Commun, 12, 2021
6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
著者Lee, S, Zhang, G.
登録日2018-09-07
公開日2019-09-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
8FCF
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BU of 8fcf by Molmil
Crystal structure of PLVAP CC1 in I212121 space group
分子名称: Plasmalemma vesicle-associated protein
著者Chang, T.H, Hsieh, F.L, Gu, X, Kavran, J, Gabelli, S.B, Nathans, J.
登録日2022-12-01
公開日2023-03-22
最終更新日2023-04-12
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into plasmalemma vesicle-associated protein (PLVAP): Implications for vascular endothelial diaphragms and fenestrae.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FLO
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BU of 8flo by Molmil
X-ray crystal structure of substrate free CYP124A1 from Mycobacterium Marinum
分子名称: Cytochrome P450 124A1, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2022-12-22
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023
8FJO
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X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with farnesyl acetate
分子名称: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, AMMONIUM ION, Cytochrome P450 124A1, ...
著者Ghith, A, Bruning, J.B, Bell, S.G.
登録日2022-12-20
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 737, 2023

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