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8USJ
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Crystal Structure of Kemp Eliminase HG198 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
4XAY
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BU of 4xay by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R8, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-16
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
8USF
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Crystal Structure of Kemp Eliminase HG649 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
7NOY
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Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis in complex with substrate 1-hydroxyquinolin-4(1H)-one
分子名称: 1-oxidanylquinolin-4-one, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ...
著者Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S.
登録日2021-02-26
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
8P64
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Co-crystal structure of PD-L1 with low molecular weight inhibitor
分子名称: Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine
著者Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A.
登録日2023-05-25
公開日2024-03-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.312 Å)
主引用文献1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
7NMK
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Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one
分子名称: 1-methoxy-4-oxoquinoline, 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase, FORMIC ACID, ...
著者Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S.
登録日2021-02-23
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.204 Å)
主引用文献Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
4XBU
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In vitro Crystal Structure of PAK4 in complex with Inka peptide
分子名称: Protein FAM212A, Serine/threonine-protein kinase PAK 4
著者Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C.
登録日2014-12-17
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1
Nat Commun, 6, 2015
8UQN
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PLCb3-Gaq complex on membranes
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Falzone, M.E, MacKinnon, R.
登録日2023-10-24
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The mechanism of G alpha q regulation of PLC beta 3 -catalyzed PIP2 hydrolysis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8UZK
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Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (NADP+ bound)
分子名称: Betaine aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-11-15
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (NADP+ bound)
To be published
8P00
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Cryo-EM structure of Rotavirus B NSP2
分子名称: Non-structural protein 2
著者Chamera, S, Nowotny, M.
登録日2023-05-09
公開日2024-02-28
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of rotavirus B NSP2 reveals its unique tertiary architecture.
J.Virol., 98, 2024
7NDM
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Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound substrate 4-hydroxyisoquinolin-1(2H)-one
分子名称: 4-oxidanyl-2~{H}-isoquinolin-1-one, Heterocyclic toxin methyltransferase (Rv0560c), MALONATE ION, ...
著者Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S.
登録日2021-02-02
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
8USG
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BU of 8usg by Molmil
Crystal Structure of Kemp Eliminase HG630 in unbound state, 280 K
分子名称: Kemp eliminase, SULFATE ION
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8P3E
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BU of 8p3e by Molmil
Crystal structure of glucocerebrosidase in complex with allosteric activator
分子名称: 2-[[3-[(4-chlorophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid, 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Schulze, M.-S.
登録日2023-05-17
公開日2024-03-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of ss-Glucocerebrosidase Activators for Glucosylceramide hydrolysis.
Chemmedchem, 19, 2024
7MY9
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Structure of proline utilization A with 1,3-dithiolane-2-carboxylate bound in the proline dehydrogenase active site
分子名称: 1,3-dithiolane-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.628 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
7MYB
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Structure of proline utilization A with tetrahydrothiophene-2-carboxylate bound in the proline dehydrogenase active site
分子名称: (2R)-thiolane-2-carboxylic acid, (2S)-thiolane-2-carboxylic acid, Bifunctional protein PutA, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
4XE3
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OleP, the cytochrome P450 epoxidase from Streptomyces antibioticus involved in Oleandomycin biosynthesis: functional analysis and crystallographic structure in complex with clotrimazole.
分子名称: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Montemiglio, L.C, Parisi, G, Scaglione, A, Savino, C, Vallone, B.
登録日2014-12-22
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Functional analysis and crystallographic structure of clotrimazole bound OleP, a cytochrome P450 epoxidase from Streptomyces antibioticus involved in oleandomycin biosynthesis.
Biochim.Biophys.Acta, 1860, 2015
7MYA
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BU of 7mya by Molmil
Structure of proline utilization A with the FAD covalently-modified by 1,3-dithiolane
分子名称: Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
7MYC
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BU of 7myc by Molmil
Structure of proline utilization A with the FAD covalently modified by tetrahydrothiophene
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Campbell, A.C.
登録日2021-05-20
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Photoinduced Covalent Irreversible Inactivation of Proline Dehydrogenase by S-Heterocycles.
Acs Chem.Biol., 16, 2021
4XA7
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BU of 4xa7 by Molmil
Soluble part of holo NqrC from V. harveyi
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit C
著者Borshchevskiy, V, Round, E, Bertsova, Y, Polovinkin, V, Gushchin, I, Mishin, A, Kovalev, K, Kachalova, G, Popov, A, Bogachev, A, Gordeliy, V.
登録日2014-12-12
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and Functional Investigation of Flavin Binding Center of the NqrC Subunit of Sodium-Translocating NADH:Quinone Oxidoreductase from Vibrio harveyi.
Plos One, 10, 2015
8P4Q
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BU of 8p4q by Molmil
Structure of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
分子名称: IMP dehydrogenase subunit, INOSINIC ACID, XANTHOSINE-5'-MONOPHOSPHATE
著者Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M.
登録日2023-05-23
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
6SAT
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BU of 6sat by Molmil
Cell Division Protein SepF in complex with C-terminal domain of FtsZ
分子名称: Cell division protein FtsZ, Cell division protein SepF
著者Sogues, A, Wehenkel, A.M, Alzari, P.M.
登録日2019-07-17
公開日2020-03-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Essential dynamic interdependence of FtsZ and SepF for Z-ring and septum formation in Corynebacterium glutamicum.
Nat Commun, 11, 2020
4XEZ
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cysteine dioxygenase variant - Y157F at pH 8.0 with dithionite
分子名称: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION, ...
著者Driggers, C.M, Karplus, P.A.
登録日2014-12-25
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2469 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
1NCC
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CRYSTAL STRUCTURES OF TWO MUTANT NEURAMINIDASE-ANTIBODY COMPLEXES WITH AMINO ACID SUBSTITUTIONS IN THE INTERFACE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IGG2A-KAPPA NC41 FAB (HEAVY CHAIN), ...
著者Tulip, W.R, Varghese, J.N, Colman, P.M.
登録日1992-01-21
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of two mutant neuraminidase-antibody complexes with amino acid substitutions in the interface.
J.Mol.Biol., 227, 1992
8P37
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Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
分子名称: IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
著者Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M.
登録日2023-05-17
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
4XJ8
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Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate with DMSO
分子名称: Sialidase B
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published

222415

件を2024-07-10に公開中

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