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6VCL
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BU of 6vcl by Molmil
Crystal structure of E.coli RppH-DapF in complex with pppGpp, Mg2+ and F-
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ...
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
5JCL
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BU of 5jcl by Molmil
Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Os09g0567300 protein
Authors:Park, A.K, Kim, H.W.
Deposit date:2016-04-15
Release date:2016-10-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Sci Rep, 6, 2016
6VCR
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BU of 6vcr by Molmil
Crystal structure of E.coli RppH in complex with CTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, PYROPHOSPHATE, RNA pyrophosphohydrolase, ...
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
5JIL
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BU of 5jil by Molmil
Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase in complex with 4N-acetyl sialic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ...
Authors:Bakkers, M.J.G, Feitsma, L.J, de Groot, R.J, Huizinga, E.G.
Deposit date:2016-04-22
Release date:2016-05-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Coronavirus receptor switch explained from the stereochemistry of protein-carbohydrate interactions and a single mutation.
Proc.Natl.Acad.Sci.USA, 113, 2016
6VFZ
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BU of 6vfz by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor.
Descriptor: 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-01-07
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
5JLA
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BU of 5jla by Molmil
Crystal Structure of Ribose-5-phosphate Isomerase from Brucella melitensis 16M
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative short-chain dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease, SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-04-26
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of putative short-chain dehdrogenase/reductase from Burkholderia xenovorans LB400 bound to NAD
to be published
5NGI
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BU of 5ngi by Molmil
Structure of XcpQN012
Descriptor: Type II secretion system protein D
Authors:Cambillau, C, Roussel, A, Trinh, T.N.
Deposit date:2017-03-17
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics.
MBio, 8, 2017
5J5Z
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BU of 5j5z by Molmil
Crystal structure of the D444V disease-causing mutant of the human dihydrolipoamide dehydrogenase
Descriptor: Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Szabo, E, Mizsei, R, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2016-04-04
Release date:2017-11-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Free Radic. Biol. Med., 124, 2018
5NHG
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BU of 5nhg by Molmil
Crystal structure of the human dihydrolipoamide dehydrogenase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ...
Authors:Szabo, E, Mizsei, R, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Free Radic. Biol. Med., 124, 2018
6SGU
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BU of 6sgu by Molmil
Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc
Descriptor: DARPin, Multidrug efflux pump subunit AcrB
Authors:Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F.
Deposit date:2019-08-05
Release date:2020-05-13
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
5NIW
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BU of 5niw by Molmil
Glucose oxydase mutant A2
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Hoffmann, K, Frank, D.
Deposit date:2017-03-27
Release date:2017-11-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
5J23
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BU of 5j23 by Molmil
Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with 2'-phospho-ADP-ribose
Descriptor: 2-hydroxyacid dehydrogenase, ACETATE ION, CHLORIDE ION, ...
Authors:Shabalin, I.G, Gasiorowska, O.A, Handing, K.B, Bonanno, J, Kutner, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2016-03-29
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
5N8O
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BU of 5n8o by Molmil
Cryo EM structure of the conjugative relaxase TraI of the F/R1 plasmid system
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA helicase I
Authors:Ilangovan, A, Zanetti, G, Waksman, G.
Deposit date:2017-02-23
Release date:2017-05-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM Structure of a Relaxase Reveals the Molecular Basis of DNA Unwinding during Bacterial Conjugation
Cell, 169, 2017
5JAN
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BU of 5jan by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 1,3-dimethyl-6-(2-methylpropoxy)pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, CHLORIDE ION, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5JAT
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BU of 5jat by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
Descriptor: 3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Day, P.J.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
5NJR
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BU of 5njr by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
Deposit date:2017-03-29
Release date:2017-10-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
5JE8
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BU of 5je8 by Molmil
The crystal structure of Bacillus cereus 3-hydroxyisobutyrate dehydrogenase in complex with NAD
Descriptor: 3-hydroxyisobutyrate dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Park, S.C, Yoon, S.I.
Deposit date:2016-04-18
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical characterization of the Bacillus cereus 3-hydroxyisobutyrate dehydrogenase
Biochem.Biophys.Res.Commun., 474, 2016
5ITX
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BU of 5itx by Molmil
Crystal Structure of Human NEIL1(P2G R242K) bound to duplex DNA containing Thymine Glycol
Descriptor: DNA (26-MER), Endonuclease 8-like 1
Authors:Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C.
Deposit date:2016-03-17
Release date:2016-07-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
6V1W
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BU of 6v1w by Molmil
NMR Structure of C-terminal Domain of phi29 ATPase
Descriptor: DNA packaging protein
Authors:Mahler, B, Mao, H, Morais, M.C.
Deposit date:2019-11-21
Release date:2020-09-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of a vestigial nuclease provides insight into the evolution of functional transitions in viral dsDNA packaging motors.
Nucleic Acids Res., 48, 2020
5NEK
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BU of 5nek by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ...
Authors:Andreou, A, Giastas, P, Eliopoulos, E.E.
Deposit date:2017-03-10
Release date:2018-02-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.057 Å)
Cite:Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
5J55
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BU of 5j55 by Molmil
The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, Carotenoid oxygenase, FE (III) ION, ...
Authors:McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D.
Deposit date:2016-04-01
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5NN8
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BU of 5nn8 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
Deposit date:2017-04-08
Release date:2017-10-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
5NEU
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BU of 5neu by Molmil
Localised Reconstruction of Integrin alpha V beta 6 bound to Foot and Mouth Disease Virus O1 Manisa - Pose B.
Descriptor: CALCIUM ION, Capsid protein, Integrin alpha-V, ...
Authors:Kotecha, A, Stuart, D.
Deposit date:2017-03-11
Release date:2017-06-21
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (12.3 Å)
Cite:Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
7NKF
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BU of 7nkf by Molmil
Hen egg white lysozyme (HEWL) Grown inside (Not centrifuged) HARE serial crystallography chip.
Descriptor: Lysozyme, SODIUM ION
Authors:Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C.
Deposit date:2021-02-17
Release date:2021-06-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
5J77
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BU of 5j77 by Molmil
Mutant glyceraldehyde dehydrogenase (F34M+S405N) from Thermoplasma acidophilum
Descriptor: D-glyceraldehyde dehydrogenase (NADP(+))
Authors:Iermak, I, Mesters, J.R, Kuta Smatanova, I.
Deposit date:2016-04-06
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of wild-type glyceraldehyde dehydrogenase from Thermoplasma acidophilum in complex with NADP
To Be Published

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