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4EGJ
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BU of 4egj by Molmil
Crystal structure of D-alanine-D-alanine ligase from Burkholderia xenovorans
Descriptor: D-alanine--D-alanine ligase
Authors:SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-31
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
6QKC
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BU of 6qkc by Molmil
GluA1/2 In complex with auxiliary subunit gamma-8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 1, ...
Authors:Herguedas, B, Garcia-Nafria, J, Greger, I.G.
Deposit date:2019-01-28
Release date:2019-03-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8.
Science, 364, 2019
6S41
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BU of 6s41 by Molmil
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
Descriptor: 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
Authors:Focken, T, Maskos, K, Griessner, A, Krapp, S.
Deposit date:2019-06-26
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
6WYC
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BU of 6wyc by Molmil
Crystal Structure of Chlamydia trachomatis Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Schormann, N, Chattopadhyay, D.
Deposit date:2020-05-12
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Chlamydia trachomatis glyceraldehyde 3-phosphate dehydrogenase: Enzyme kinetics, high-resolution crystal structure, and plasminogen binding.
Protein Sci., 29, 2020
6WZ6
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BU of 6wz6 by Molmil
Complex of mutant (K173M) of Pseudomonas 7A Glutaminase-Asparaginase with L-Glu at pH 5. Covalent acyl-enzyme intermediate
Descriptor: 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutaminase-asparaginase
Authors:Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J.
Deposit date:2020-05-13
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria.
Sci Rep, 10, 2020
6S4G
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BU of 6s4g by Molmil
Crystal structure of the omega transaminase from Chromobacterium violaceum in complex with PMP
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Ruggieri, F, Campillo Brocal, J.C, Humble, M.S, Walse, B, Logan, D.T, Berglund, P.
Deposit date:2019-06-27
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase.
Sci Rep, 9, 2019
6QG3
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BU of 6qg3 by Molmil
Structure of eIF2B-eIF2 (phosphorylated at Ser51) complex (model B)
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Llacer, J.L, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2019-01-10
Release date:2019-06-26
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Structural basis for the inhibition of translation through eIF2 alpha phosphorylation.
Nat Commun, 10, 2019
6WH9
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BU of 6wh9 by Molmil
Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10
Descriptor: 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ...
Authors:Cogan, D.P, Mathews, I.I, Khosla, C.
Deposit date:2020-04-07
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
6TER
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BU of 6ter by Molmil
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A.
Deposit date:2019-11-12
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
6TGH
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BU of 6tgh by Molmil
SHMT from Streptococcus thermophilus Tyr55Thr variant in complex with D-Serine both as external aldimine and as non-covalent complex
Descriptor: D-SERINE, L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene], ...
Authors:Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I.
Deposit date:2019-11-15
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus
To Be Published
6TGZ
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BU of 6tgz by Molmil
IE1 from human cytomegalovirus
Descriptor: 55 kDa immediate-early protein 1
Authors:Schweininger, J, Muller, Y.A.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Cytomegalovirus immediate-early 1 proteins form a structurally distinct protein class with adaptations determining cross-species barriers.
Plos Pathog., 17, 2021
6QG5
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BU of 6qg5 by Molmil
Structure of eIF2B-eIF2 (phosphorylated at Ser51) complex (model C)
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Llacer, J.L, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2019-01-10
Release date:2019-06-26
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (10.1 Å)
Cite:Structural basis for the inhibition of translation through eIF2 alpha phosphorylation.
Nat Commun, 10, 2019
6VSC
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BU of 6vsc by Molmil
Single particle reconstruction of HemQ from Geobacillus based on data acquired in the presence of substantial aberrations
Descriptor: HemQ
Authors:Bromberg, R, Guo, Y, Borek, D, Otwinowski, Z.
Deposit date:2020-02-11
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:High-resolution cryo-EM reconstructions in the presence of substantial aberrations
Iucrj, 7, 2020
3DUS
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BU of 3dus by Molmil
Crystal structure of SAG506-01, orthorhombic, twinned, crystal 1
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
Authors:Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
Deposit date:2008-07-17
Release date:2008-12-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
6THJ
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BU of 6thj by Molmil
CBDP35 Native structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PlyP35
Authors:Hermoso, J.A, Bartual, S.G.
Deposit date:2019-11-20
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CBDP35 Native structure
To Be Published
3I02
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BU of 3i02 by Molmil
Crystal structure of S54-10 antibody in complex with antigen Kdo(2.4)Kdo(2.4)Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Immunoglobulin heavy chain, Immunoglobulin light chain
Authors:Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
Deposit date:2009-06-24
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
6VNU
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BU of 6vnu by Molmil
X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase
Descriptor: Beta-lactamase, POTASSIUM ION, [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium, ...
Authors:Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
Deposit date:2020-01-29
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M beta-Lactamase.
Chembiochem, 21, 2020
3HMY
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BU of 3hmy by Molmil
Crystal structure of HCR/T complexed with GT2
Descriptor: GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid, SULFATE ION, ...
Authors:Chen, C, Fu, Z, Kim, J.-J.P, Barbieri, J.T, Baldwin, M.R.
Deposit date:2009-05-29
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Gangliosides as high affinity receptors for tetanus neurotoxin.
J.Biol.Chem., 284, 2009
6VUX
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BU of 6vux by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388
Descriptor: 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6QKN
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BU of 6qkn by Molmil
Structure of the azide-inhibited form of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
Descriptor: AZIDE ION, CALCIUM ION, Cytochrome-c peroxidase, ...
Authors:Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C.
Deposit date:2019-01-29
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae
To Be Published
6QKS
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BU of 6qks by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Apo
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
Deposit date:2019-01-30
Release date:2019-06-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
6QLA
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BU of 6qla by Molmil
CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) FROM PERMAFROST METAGENOMIC LIBRARY
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Boyko, K.M, Garsia, D, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O.
Deposit date:2019-01-31
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine.
Plos One, 15, 2020
4IXV
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BU of 4ixv by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 2d: {(5R)-5-amino-5-carboxy-5-[1-(4-chlorobenzyl)piperidin-4-yl]pentyl}(trihydroxy)borate(1-)
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013
4IYF
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BU of 4iyf by Molmil
Insulin glargine crystal structure 2
Descriptor: Insulin A chain, Insulin B chain
Authors:Barba de la Rosa, A.P, Lara-Gonzalez, S, Montero-Moran, G.M, Escobedo-Moratilla, A.
Deposit date:2013-01-28
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Physicochemical and structural analysis of a biosimilar insulin glargine formulation and its reference
to be published
6VZ8
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BU of 6vz8 by Molmil
Arabidopsis thaliana acetohydroxyacid synthase complex with valine bound
Descriptor: Acetolactate synthase small subunit 2, chloroplastic, Acetolactate synthase, ...
Authors:Guddat, L.W, Low, Y.S.
Deposit date:2020-02-27
Release date:2020-07-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020

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