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7REY
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BU of 7rey by Molmil
MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN APO FORM
Descriptor: SODIUM ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J.
Deposit date:2021-07-13
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of divalent Mg2+ dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published
7R2Y
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BU of 7r2y by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ATP resulting from short ATP soak, conflicting T-loop and C-loop with partial occupancy
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Membrane-associated protein slr1513, SODIUM ION
Authors:Selim, K.A, Albrecht, R, Hartmann, M.D.
Deposit date:2022-02-06
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
8RU1
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BU of 8ru1 by Molmil
Chromatin remodeling regulator CECR2 with in crystallo disulfide bond
Descriptor: Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION
Authors:Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2024-01-29
Release date:2024-03-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
7R31
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BU of 7r31 by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803, C105A+C110A variant, in complex with ATP (co-crystal), tetragonal crystal form
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Membrane-associated protein slr1513, ...
Authors:Selim, K.A, Albrecht, R, Hartmann, M.D.
Deposit date:2022-02-06
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
1A49
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BU of 1a49 by Molmil
BIS MG-ATP-K-OXALATE COMPLEX OF PYRUVATE KINASE
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OXALATE ION, ...
Authors:Larsen, T.M, Benning, M.M, Rayment, I, Reed, G.H.
Deposit date:1998-02-12
Release date:1999-04-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the bis(Mg2+)-ATP-oxalate complex of the rabbit muscle pyruvate kinase at 2.1 A resolution: ATP binding over a barrel.
Biochemistry, 37, 1998
7U0M
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BU of 7u0m by Molmil
Crystal structure of a enoyl-[acyl-carrier-protein] reductase (InhA) from Mycobacterium abscessus bound to NAD and NITD-916
Descriptor: 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Efficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Acs Infect Dis., 8, 2022
7TIN
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BU of 7tin by Molmil
The Structure of S. aureus MenD
Descriptor: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, CALCIUM ION, CHLORIDE ION, ...
Authors:Johnston, J.M, Stanborough, T, Ho, N.A.T, Akazong, E.W, Jiao, W.
Deposit date:2022-01-14
Release date:2022-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric inhibition of Staphylococcus aureus MenD by 1,4-dihydroxy naphthoic acid: a feedback inhibition mechanism of the menaquinone biosynthesis pathway.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
8Q59
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BU of 8q59 by Molmil
Crystal structure of metal-dependent class II sulfofructose phosphate aldolase from Yersinia aldovae in complex with sulfofructose phosphate (YaSqiA-Zn-SFP)
Descriptor: (3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-oxidanylidene-6-phosphonooxy-hexane-1-sulfonic acid, SODIUM ION, Tagatose-1,6-bisphosphate aldolase kbaY, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-08
Release date:2023-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
8Q1R
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BU of 8q1r by Molmil
mouse Keap1 in complex with stapled peptide
Descriptor: Kelch-like ECH-associated protein 1, SODIUM ION, SULFATE ION, ...
Authors:Kack, H, Wissler, L.
Deposit date:2023-08-01
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction.
Chem Sci, 14, 2023
8Q57
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BU of 8q57 by Molmil
Crystal structure of class II SFP aldolase from Yersinia aldovae (YaSqiA-Zn-SO4) with bound sulfate ions
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, SULFATE ION, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-08
Release date:2023-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
1CFB
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BU of 1cfb by Molmil
CRYSTAL STRUCTURE OF TANDEM TYPE III FIBRONECTIN DOMAINS FROM DROSOPHILA NEUROGLIAN AT 2.0 ANGSTROMS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DROSOPHILA NEUROGLIAN, ...
Authors:Huber, A.H, Wang, Y.E, Bieber, A.J, Bjorkman, P.J.
Deposit date:1994-08-27
Release date:1994-11-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of tandem type III fibronectin domains from Drosophila neuroglian at 2.0 A.
Neuron, 12, 1994
7ULE
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BU of 7ule by Molmil
F420-1/GDP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus
Descriptor: (2~{S})-2-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid, Coenzyme F420:L-glutamate ligase, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bashiri, G, Squire, C.J.
Deposit date:2022-04-04
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Universal Mechanism for Poly-glutamylation
To Be Published
8UR1
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BU of 8ur1 by Molmil
Crystal structure N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound halide free active site)
Descriptor: CHLORIDE ION, GLYCEROL, N-acetylneuraminate lyase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-10-25
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound halide free active site)
To be published
7UM2
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BU of 7um2 by Molmil
SARS-CoV-2 Spike-derived peptide S417-425 K417T mutant (TIADYNYKL) presented by HLA-A*02:01
Descriptor: Beta-2-microglobulin, CADMIUM ION, HLA class I antigen, ...
Authors:Szeto, C, Gras, S.
Deposit date:2022-04-06
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:SARS-CoV-2 Spike-derived peptide S417-425 K417T mutant (TIADYNYKL) presented by HLA-A*02:01
To Be Published
8U36
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BU of 8u36 by Molmil
The crystal structure of the classical binding interface of Importin alpha 2 and a nuclear localisation signal sequence in Frog siadenovirus core protein VII
Descriptor: Importin subunit alpha-1, PVII, SODIUM ION
Authors:Athukorala, A, Donnelly, C.M, Forwood, J.K, Sarker, S.
Deposit date:2023-09-07
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional characterization of nuclear localization signals of pVII protein of Frog siadenovirus
To be published
7URP
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BU of 7urp by Molmil
Second cohesin module from Sca5 of Ruminococcus bromii
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Ribonucleases G and E, ...
Authors:Cerqueira, F, Koropatkin, N.
Deposit date:2022-04-22
Release date:2023-05-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structures of cohesin modules from Sca5 of Ruminococcus bromii
To Be Published
7V0B
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BU of 7v0b by Molmil
Crystal structure of halogenase CtcP from Kitasatospora aureofaciens in complex with FAD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2022-05-10
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures and complex formation of halogenase CtcP and FAD reductase CtcQ from the chlortetracycline biosynthetic pathway
To Be Published
8TRT
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BU of 8trt by Molmil
Structure of the EphA2 CRD bound to FabS1CE_C1, monoclinic form
Descriptor: CHLORIDE ION, Ephrin type-A receptor 2, S1CE variant of Fab C1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8TMT
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BU of 8tmt by Molmil
Crystal structure of KPC-44 carbapenemase in complex with vaborbactam
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ...
Authors:Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-30
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TJJ
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BU of 8tjj by Molmil
SAM-dependent methyltransferase RedM bound to SAM
Descriptor: 1,2-ETHANEDIOL, POTASSIUM ION, RedM, ...
Authors:Daniel-Ivad, P, Ryan, K.S.
Deposit date:2023-07-22
Release date:2023-12-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine.
J.Biol.Chem., 300, 2023
8U2M
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BU of 8u2m by Molmil
Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ACETATE ION, Cytochrome P450-SU1, ...
Authors:Hansen, M.H, Cryle, M.J.
Deposit date:2023-09-06
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Acs Catalysis, 2024
8UQA
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BU of 8uqa by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 12-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, SODIUM ION, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQ8
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BU of 8uq8 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 2-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8U2D
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BU of 8u2d by Molmil
Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide
Descriptor: (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Gajewski, S, Clifton, M.C.
Deposit date:2023-09-05
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
1BCH
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BU of 1bch by Molmil
MANNOSE-BINDING PROTEIN-A MUTANT (QPDWGH) COMPLEXED WITH N-ACETYL-D-GALACTOSAMINE
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, ...
Authors:Kolatkar, A.R, Weis, W.I.
Deposit date:1998-04-30
Release date:1998-06-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of N-acetylgalactosamine binding to a C-type animal lectin carbohydrate-recognition domain.
J.Biol.Chem., 273, 1998

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