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8T4P
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BU of 8t4p by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor
Descriptor: 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, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-06-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.801 Å)
Cite: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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BU of 1p8m by Molmil
Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I.
Descriptor: Arginase 1, MANGANESE (II) ION
Authors:Cama, E, Emig, F.A, Ash, E.-D, Christianson, D.W.
Deposit date:2003-05-07
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.84 Å)
Cite: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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BU of 8tg7 by Molmil
Structure of Red beta C-terminal domain in complex with SSB C-terminal peptide, Form 2
Descriptor: Plasmid-derived single-stranded DNA-binding protein, Recombination protein bet
Authors:Bell, C.E.
Deposit date:2023-07-12
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.775 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ...
Authors:Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P.
Deposit date:2019-08-14
Release date:2020-07-22
Last modified:2020-10-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 7cp5 by Molmil
Bovine heart cytochrome c oxidase in a catalytic intermediate of E at 1.76 angstrom resolution
Descriptor: (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, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2020-08-06
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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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BU of 6xg4 by Molmil
X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim
Descriptor: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
Authors:Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
Deposit date:2020-06-16
Release date:2021-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A trimethoprim derivative impedes antibiotic resistance evolution.
Nat Commun, 12, 2021
6XG5
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BU of 6xg5 by Molmil
X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim
Descriptor: CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ...
Authors:Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E.
Deposit date:2020-06-16
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Heim, J.B, Heggelund, J.E, Krengel, U.
Deposit date:2018-11-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: FARNESYL, Phosphatidylinositol 4,5-bisphosphate 5-phosphatase, s-farnesyl-l-cysteine methyl ester, ...
Authors:Fansa, E.K, Isamil, S, Wittinghofer, A.
Deposit date:2015-12-02
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PDE6delta-mediated sorting of INPP5E into the cilium is determined by cargo-carrier affinity.
Nat Commun, 7, 2016
5YB0
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BU of 5yb0 by Molmil
Crystal Structure of Wild Type Phosphoserine aminotransferase (PSAT) from E. histolytica
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Phosphoserine aminotransferase
Authors:Singh, R.K, Gourinath, S.
Deposit date:2017-09-02
Release date:2018-10-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite: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
Descriptor: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION
Authors:Leitans, J, Dvinskis, E, Tars, K.
Deposit date:2023-02-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Antibody Fab fragment Heavy chain, Antibody Fab fragment light chain, ...
Authors:Heggelund, J.E, Sollid, L.M.
Deposit date:2023-05-02
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
Authors:Heggelund, J.E, Sollid, L.M.
Deposit date:2023-05-02
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
Authors:Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
Deposit date:2021-10-13
Release date:2022-10-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2,5-Dimethoxybenzyl)-7-sulfamoyloxy-6-methoxy-3,4-dihydroquinazolin-2(1H)-one, CALCIUM ION, ...
Authors:Menchon, G, Prota, A.E, Steinmetz, M.O, Potter, B.V.L.
Deposit date:2017-08-17
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.11 Å)
Cite: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.
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, PROTEIN (GLYCEROL KINASE)
Authors:Ormo, M, Bystrom, C.E, Remington, S.J.
Deposit date:1998-08-10
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: Protein tyrosine phosphatase type IVA 3
Authors:Jeong, K, Kang, D, Kim, J, Shin, S, Jin, B, Lee, C, Kim, E, Jeon, Y.H, Kim, Y.
Deposit date:2013-07-29
Release date:2013-10-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: CHLORIDE ION, COBALT (II) ION, Haloalkane dehalogenase, ...
Authors:Malashkevich, V.N, Toro, R, Mundorff, E.C, Almo, S.C.
Deposit date:2015-11-17
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.476 Å)
Cite: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
Descriptor: CALCIUM ION, Sulfoquinovosidase, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
Authors:Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J.
Deposit date:2017-07-18
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases.
ACS Cent Sci, 4, 2018
1NN4
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BU of 1nn4 by Molmil
Structural Genomics, RpiB/AlsB
Descriptor: Ribose 5-phosphate isomerase B
Authors: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)
Deposit date:2003-01-12
Release date:2003-07-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ...
Authors: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.
Deposit date:2009-02-04
Release date:2009-03-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 23S rRNA pseudouridine synthase D,PilA, ACETATE ION, GLYCEROL, ...
Authors:Somers, D.
Deposit date:2018-06-19
Release date:2019-05-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 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
Authors: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)
Deposit date:2009-07-28
Release date:2009-08-11
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite: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
Descriptor: ACETYL GROUP, HEMERYTHRIN, MU-OXO-DIIRON, ...
Authors:Holmes, M.A, Letrong, I, Turley, S, Sieker, L.C, Stenkamp, R.E.
Deposit date:1990-10-18
Release date:1992-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W.
Deposit date:2020-09-01
Release date:2021-01-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021

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