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8B6I
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KRasG12C ligand complex
分子名称: 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Phillips, C, Breed, J.
登録日2022-09-27
公開日2023-07-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
6E0O
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Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA
分子名称: MAGNESIUM ION, RNA (5'-D(*(ATP))-R(P*A)-3'), cGAS/DncV-like nucleotidyltransferase in E. coli homolog
著者Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-07-06
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
8B7X
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X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - apo form.
分子名称: O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), SULFATE ION, Siderophore ABC transporter substrate-binding protein
著者Wilson, K.S, Duhme-Klair, A.K, Blagova, E.V, Bennett, M.
登録日2022-10-03
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
8BAX
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X-ray structure of the CeuE Homologue from Geobacillus stearothermophilus - azotochelin complex.
分子名称: Azotochelin, FE (III) ION, Siderophore ABC transporter substrate-binding protein
著者Blagova, E.V, Miller, A, Dodson, E.J, Booth, R, Duhme-Klair, A.K, Wilson, K.S.
登録日2022-10-12
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
8BV4
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Structure of BlaC from Mycobacterium tuberculosis in complex with vaborbactam
分子名称: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
著者Chikunova, A, Bruenle, S, Ubbink, M.
登録日2022-12-01
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
7MS2
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Three-dimensional structure of a GH3 Beta-glucosidase from Clostridium thermocellum in complex with glycerol
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
著者Almeida, L.R, Muniz, J.R.C.
登録日2021-05-10
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Three-dimensional structure of a GH3 Beta-glucosidase from Clostridium thermocellum in complex with glycerol
To Be Published
8BJ9
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X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - 5LICAM complex.
分子名称: ABC transporter, FE (III) ION, N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide), ...
著者Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S.
登録日2022-11-03
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
8BNW
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X-ray structure of the CeuE Homologue from Parageobacillus thermoglucosidasius - apo form
分子名称: ABC transporter, NICKEL (II) ION, SULFATE ION
著者Blagova, E.V, Bennett, M, Booth, R, Dodson, E.J, Duhme-KLair, A.-K, Wilson, K.S.
登録日2022-11-14
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.133 Å)
主引用文献Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Acta Crystallogr D Struct Biol, 79, 2023
6DY6
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Mn(II)-bound structure of the engineered cyt cb562 variant, CH2E
分子名称: HEME C, MANGANESE (II) ION, PENTAETHYLENE GLYCOL, ...
著者Tezcan, F.A, Rittle, J.
登録日2018-07-01
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An efficient, step-economical strategy for the design of functional metalloproteins.
Nat.Chem., 11, 2019
8B2E
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Muramidase from Kionochaeta sp natural catalytic core
分子名称: CADMIUM ION, Muramidase
著者Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S.
登録日2022-09-13
公開日2023-07-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases.
Acta Crystallogr D Struct Biol, 79, 2023
8BAQ
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BU of 8baq by Molmil
E. coli C7 DarT1 in complex with NAD+
分子名称: 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAU
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Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
6DYL
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BU of 6dyl by Molmil
Vanadyl-bound structure of the engineered cyt b562 variant, CH3Y*
分子名称: Soluble cytochrome b562, VANADIUM ION
著者Tezcan, F.A, Rittle, J.
登録日2018-07-01
公開日2019-04-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.691 Å)
主引用文献An efficient, step-economical strategy for the design of functional metalloproteins.
Nat.Chem., 11, 2019
8B2F
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BU of 8b2f by Molmil
SH3-like cell wall binding domain of the GH24 family muramidase from Trichophaea saccata in complex with triglycine
分子名称: 1,2-ETHANEDIOL, GLY-GLY-GLY, SH3-like cell wall binding domain-containing protein, ...
著者Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S.
登録日2022-09-13
公開日2023-07-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.183 Å)
主引用文献Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases.
Acta Crystallogr D Struct Biol, 79, 2023
6HX3
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PDX1.2/PDX1.3 complex
分子名称: Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION
著者Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse.
Acta Crystallogr D Struct Biol, 75, 2019
8B2G
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BU of 8b2g by Molmil
SH3-like domain from Penicillium virgatum muramidase
分子名称: 1,2-ETHANEDIOL, SH3b domain-containing protein, ZINC ION
著者Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S.
登録日2022-09-13
公開日2023-07-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases.
Acta Crystallogr D Struct Biol, 79, 2023
6HXM
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BU of 6hxm by Molmil
Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate and CoASH in space group C2221
分子名称: ATP-citrate synthase, CITRATE ANION, COENZYME A
著者Verstraete, K, Verschueren, K.
登録日2018-10-17
公開日2019-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6HXV
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BU of 6hxv by Molmil
Crystal structure of the head and coiled-coil domains of zebrafish CCDC61 (F129E/D130A)
分子名称: Coiled-coil domain-containing protein 61
著者Barnabas, D, Ochi, T, van Breugel, M.
登録日2018-10-18
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献CCDC61/VFL3 Is a Paralog of SAS6 and Promotes Ciliary Functions.
Structure, 28, 2020
8B2H
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Muramidase from Thermothielavioides terrestris, catalytic domain
分子名称: 1,2-ETHANEDIOL, SH3b domain-containing protein, ZINC ION
著者Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S.
登録日2022-09-13
公開日2023-07-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases.
Acta Crystallogr D Struct Biol, 79, 2023
8B2S
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BU of 8b2s by Molmil
GH24 family muramidase from Trichophaea saccata with an SH3-like cell wall binding domain
分子名称: GH24 family muramidase, POTASSIUM ION
著者Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S.
登録日2022-09-14
公開日2023-07-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases.
Acta Crystallogr D Struct Biol, 79, 2023
6HRR
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BU of 6hrr by Molmil
Structure of the TRPML2 ELD at pH 6.5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Bader, N, Viet, K.K, Wagner, A, Hellmich, U.A.
登録日2018-09-28
公開日2019-06-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Human TRPML2 Ion Channel Extracytosolic/Lumenal Domain.
Structure, 27, 2019
6E0M
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BU of 6e0m by Molmil
Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase
分子名称: DIPHOSPHATE, cGAS/DncV-like nucleotidyltransferase in E. coli homolog
著者Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-07-06
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Bacterial cGAS-like enzymes synthesize diverse nucleotide signals.
Nature, 567, 2019
8UQ1
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Minimal PutA proline dehydrogenase domain (design #2) complexed with (Allylthio)acetic acid
分子名称: (Allylthio)acetic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J.
登録日2023-10-23
公開日2024-10-30
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of N -Propargylglycine.
Biochemistry, 2024
8UQ0
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Minimal PutA proline dehydrogenase domain (design #2) complexed with 2-(Cyanomethylthio)acetic acid
分子名称: 2-(Cyanomethylthio)acetic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J.
登録日2023-10-23
公開日2024-10-30
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Noncovalent Inhibition and Covalent Inactivation of Proline Dehydrogenase by Analogs of N -Propargylglycine.
Biochemistry, 2024
6H87
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MamM CTD D249N - Zinc form
分子名称: BETA-MERCAPTOETHANOL, CARBON DIOXIDE, Magnetosome protein MamM, ...
著者Barber-Zucker, S, Zarivach, R.
登録日2018-08-02
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献MamM CTD D249N - Zinc form
To Be Published

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件を2024-11-06に公開中

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