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8T4P
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Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor
分子名称: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-06-09
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
1P8M
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Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I.
分子名称: Arginase 1, MANGANESE (II) ION
著者Cama, E, Emig, F.A, Ash, E.-D, Christianson, D.W.
登録日2003-05-07
公開日2003-06-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structural and functional importance of first-shell metal ligands in the binuclear manganese cluster of arginase I.
Biochemistry, 42, 2003
8TG7
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Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 2
分子名称: Plasmid-derived single-stranded DNA-binding protein, Recombination protein bet
著者Bell, C.E.
登録日2023-07-12
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献Structural Basis for the Interaction of Red beta Single-Strand Annealing Protein with Escherichia coli Single-Stranded DNA-Binding Protein.
J.Mol.Biol., 436, 2024
6U0J
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BU of 6u0j by Molmil
Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP
分子名称: 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ...
著者Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P.
登録日2019-08-14
公開日2020-07-22
最終更新日2020-10-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA:ACP transacylase, FabD.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CP5
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Bovine heart cytochrome c oxidase in a catalytic intermediate of E at 1.76 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Tsukihara, T, Shimada, A.
登録日2020-08-06
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
6XG4
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X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim
分子名称: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
著者Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
登録日2020-06-16
公開日2021-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
6XG5
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X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim
分子名称: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
著者Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
登録日2020-06-16
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
6IAL
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BU of 6ial by Molmil
Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose
分子名称: CALCIUM ION, GLYCEROL, Heat-labile enterotoxin B chain, ...
著者Heim, J.B, Heggelund, J.E, Krengel, U.
登録日2018-11-27
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Specificity ofEscherichia coliHeat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography.
Int J Mol Sci, 20, 2019
5F2U
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BU of 5f2u by Molmil
Structure of Fully modified farnesylated INPP5E Peptide in complex with PDE6D
分子名称: FARNESYL, Phosphatidylinositol 4,5-bisphosphate 5-phosphatase, s-farnesyl-l-cysteine methyl ester, ...
著者Fansa, E.K, Isamil, S, Wittinghofer, A.
登録日2015-12-02
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献PDE6delta-mediated sorting of INPP5E into the cilium is determined by cargo-carrier affinity.
Nat Commun, 7, 2016
5YB0
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Crystal Structure of Wild Type Phosphoserine aminotransferase (PSAT) from E. histolytica
分子名称: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
著者Singh, R.K, Gourinath, S.
登録日2017-09-02
公開日2018-10-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献N-terminal residues are crucial for quaternary structure and active site conformation for the phosphoserine aminotransferase from enteric human parasite E. histolytica.
Int.J.Biol.Macromol., 132, 2019
8CO3
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BU of 8co3 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
分子名称: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION
著者Leitans, J, Dvinskis, E, Tars, K.
登録日2023-02-26
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
J.Med.Chem., 66, 2023
8OXV
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BU of 8oxv by Molmil
Transglutaminase 3 zymogen in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody Fab fragment Heavy chain, Antibody Fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
8OXY
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BU of 8oxy by Molmil
Transglutaminase 3 without calcium in complex with DH patient-derived Fab DH63-B02
分子名称: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
著者Heggelund, J.E, Sollid, L.M.
登録日2023-05-02
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
7SIE
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BU of 7sie by Molmil
Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis
分子名称: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
著者Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
登録日2021-10-13
公開日2022-10-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
5OSK
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BU of 5osk by Molmil
Tubulin-7j complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ...
著者Menchon, G, Prota, A.E, Steinmetz, M.O, Potter, B.V.L.
登録日2017-08-17
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Quinazolinone-Based Anticancer Agents: Synthesis, Antiproliferative SAR, Antitubulin Activity, and Tubulin Co-crystal Structure.
J. Med. Chem., 61, 2018
1BO5
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BU of 1bo5 by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN ESCHERICHIA COLI GLYCEROL KINASE AND THE ALLOSTERIC REGULATOR FRUCTOSE 1,6-BISPHOSPHATE.
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, PROTEIN (GLYCEROL KINASE)
著者Ormo, M, Bystrom, C.E, Remington, S.J.
登録日1998-08-10
公開日1999-01-13
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a complex of Escherichia coli glycerol kinase and an allosteric effector fructose 1,6-bisphosphate.
Biochemistry, 37, 1998
2MBC
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BU of 2mbc by Molmil
Solution Structure of human holo-PRL-3 in complex with vanadate
分子名称: Protein tyrosine phosphatase type IVA 3
著者Jeong, K, Kang, D, Kim, J, Shin, S, Jin, B, Lee, C, Kim, E, Jeon, Y.H, Kim, Y.
登録日2013-07-29
公開日2013-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and backbone dynamics of vanadate-bound PRL-3: comparison of 15N nuclear magnetic resonance relaxation profiles of free and vanadate-bound PRL-3.
Biochemistry, 53, 2014
5ESR
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BU of 5esr by Molmil
Crystal structure of haloalkane dehalogenase (DccA) from Caulobacter crescentus
分子名称: CHLORIDE ION, COBALT (II) ION, Haloalkane dehalogenase, ...
著者Malashkevich, V.N, Toro, R, Mundorff, E.C, Almo, S.C.
登録日2015-11-17
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.476 Å)
主引用文献Biochemical characterization of two haloalkane dehalogenases: DccA from Caulobacter crescentus and DsaA from Saccharomonospora azurea.
Protein Sci., 25, 2016
5OHT
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BU of 5oht by Molmil
A GH31 family sulfoquinovosidase from E. coli in complex with aza-sugar inhibitor IFGSQ
分子名称: CALCIUM ION, Sulfoquinovosidase, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
著者Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J.
登録日2017-07-18
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases.
ACS Cent Sci, 4, 2018
1NN4
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Structural Genomics, RpiB/AlsB
分子名称: Ribose 5-phosphate isomerase B
著者Zhang, R.G, Andersson, C.E, Mowbray, S.L, Savchenko, A, Skarina, T, Evdokimova, E, Beasley, S.L, Arrowsmith, C, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2003-01-12
公開日2003-07-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The 2.2 A resolution structure of RpiB/AlsB from Escherichia coli illustrates a new approach to the ribose-5-phosphate isomerase reaction.
J.Mol.Biol., 332, 2003
2WAB
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BU of 2wab by Molmil
Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase
分子名称: ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ...
著者Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J.
登録日2009-02-04
公開日2009-03-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
6GUT
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BU of 6gut by Molmil
CRYSTAL STRUCTURE OF NON-TYPEABLE HAEMOPHILUS INFLUENZAE PROTEIN E AND PILA EXPRESSED AS A SINGLE-CHAIN CHIMERIC PROTEIN
分子名称: 23S rRNA pseudouridine synthase D,PilA, ACETATE ION, GLYCEROL, ...
著者Somers, D.
登録日2018-06-19
公開日2019-05-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Design and Characterization of Protein E-PilA, a Candidate Fusion Antigen for Nontypeable Haemophilus influenzae Vaccine.
Infect.Immun., 87, 2019
3IGN
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BU of 3ign by Molmil
Crystal Structure of the GGDEF domain from Marinobacter aquaeolei diguanylate cyclase complexed with c-di-GMP - Northeast Structural Genomics Consortium Target MqR89a
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate cyclase
著者Vorobiev, S, Neely, H, Seetharaman, J, Wang, H, Foote, E.L, Ciccosanti, C, Sahdev, S, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-07-28
公開日2009-08-11
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of a catalytically active GG(D/E)EF diguanylate cyclase domain from Marinobacter aquaeolei with bound c-di-GMP product.
J.Struct.Funct.Genom., 13, 2012
1HMO
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BU of 1hmo by Molmil
THE STRUCTURE OF DEOXY AND OXY HEMERYTHRIN AT 2.0 ANGSTROMS RESOLUTION
分子名称: ACETYL GROUP, HEMERYTHRIN, MU-OXO-DIIRON, ...
著者Holmes, M.A, Letrong, I, Turley, S, Sieker, L.C, Stenkamp, R.E.
登録日1990-10-18
公開日1992-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of deoxy and oxy hemerythrin at 2.0 A resolution.
J.Mol.Biol., 218, 1991
7JZ2
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BU of 7jz2 by Molmil
Succinate: quinone oxidoreductase SQR from E.coli K12
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W.
登録日2020-09-01
公開日2021-01-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021

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