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5UUA
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BU of 5uua by Molmil
Tetragonal thermolysin cryocooled to 100 K with 50% xylose as cryoprotectant
Descriptor: CALCIUM ION, CHLORIDE ION, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2017-02-16
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.60000384 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
5UU8
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BU of 5uu8 by Molmil
Tetragonal thermolysin cryocooled to 100 K with 30% xylose as cryoprotectant
Descriptor: CALCIUM ION, Thermolysin, ZINC ION, ...
Authors:Juers, D.H.
Deposit date:2017-02-16
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6B6O
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BU of 6b6o by Molmil
Orthorhombic trypsin cryocooled to 100 K with 20% xylose as cryoprotectant
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Juers, D.H.
Deposit date:2017-10-03
Release date:2018-02-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.400081 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6KZU
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BU of 6kzu by Molmil
Macrocyclization of an all-D linear peptide improves target affinity and imparts cellular activity: A novel stapled alpha-helical peptide modality
Descriptor: 2JN-DAL-E03-DTY-2JN-DSG-TDF-DGL-MK8-DLE-DLE-2JN, E3 ubiquitin-protein ligase Mdm2
Authors:Jiang, S, Brown, C.J.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Macrocyclization of an all-d linear alpha-helical peptide imparts cellular permeability.
Chem Sci, 11, 2020
5H1E
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BU of 5h1e by Molmil
Interaction between vitamin D receptor and coactivator peptide SRC2-3
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Nuclear receptor coactivator 2 peptide, Vitamin D3 receptor
Authors:Egawa, D, Itoh, T, Kato, A, Kataoka, S, Anami, Y, Yamamoto, K.
Deposit date:2016-10-08
Release date:2017-01-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SRC2-3 binds to vitamin D receptor with high sensitivity and strong affinity
Bioorg. Med. Chem., 25, 2017
6THH
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BU of 6thh by Molmil
Crystal structure of type I-D CRISPR-Cas nuclease Cas10d in complex with the SIRV3 AcrID1 (gp02) anti-CRISPR protein
Descriptor: CRISPR-associated protein, CscA, PHOSPHATE ION, ...
Authors:Manav, M.C, Brodersen, D.E.
Deposit date:2019-11-20
Release date:2020-10-28
Last modified:2021-06-30
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Structural basis for inhibition of an archaeal CRISPR-Cas type I-D large subunit by an anti-CRISPR protein.
Nat Commun, 11, 2020
6B6Q
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BU of 6b6q by Molmil
Orthorhombic trypsin cryocooled to 100 K with 50% xylose as cryoprotectant
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Juers, D.H.
Deposit date:2017-10-03
Release date:2017-11-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.000068 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
7Z1X
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BU of 7z1x by Molmil
Crystal structure of human Gasdermin D complexed with nanobodies VHH-2 and VHH-6
Descriptor: Gasdermin-D, VHH-2, VHH-6
Authors:Kopp, A, Hagelueken, G, Geyer, M.
Deposit date:2022-02-25
Release date:2023-09-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Pyroptosis inhibiting nanobodies block Gasdermin D pore formation.
Nat Commun, 14, 2023
6B6P
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BU of 6b6p by Molmil
Orthorhombic trypsin cryocooled to 100 K with 30% xylose as cryoprotectant
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Juers, D.H.
Deposit date:2017-10-03
Release date:2017-11-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.000059 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
4I8D
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BU of 4i8d by Molmil
Crystal Structure of Beta-D-glucoside glucohydrolase from Trichoderma reesei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucoside glucohydrolase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Helmich, K.E, Banerjee, G, Bianchetti, C.M, Gudmundsson, M, Sandgren, M, Walton, J.D, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2012-12-03
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Biochemical Characterization and Crystal Structures of a Fungal Family 3 beta-Glucosidase, Cel3A from Hypocrea jecorina.
J.Biol.Chem., 289, 2014
2VVQ
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BU of 2vvq by Molmil
Crystal structure of Mycobacterium tuberculosis ribose-5-phosphate isomerase B in complex with the inhibitor 5-deoxy-5-phospho-D- ribonate
Descriptor: 5-O-phosphono-D-ribonic acid, RIBOSE-5-PHOSPHATE ISOMERASE B, SULFATE ION
Authors:Kowalinski, E, Roos, A.K, Mariano, S, Salmon, L, Mowbray, S.L.
Deposit date:2008-06-10
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:D-Ribose-5-Phosphate Isomerase B from Escherichia Coli is Also a Functional D-Allose-6-Phosphate Isomerase, While the Mycobacterium Tuberculosis Enzyme is not.
J.Mol.Biol., 382, 2008
5YX1
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BU of 5yx1 by Molmil
Crystal structure of hematopoietic prostaglandin D synthase in complex with U004
Descriptor: GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ...
Authors:Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Urade, Y, Takaya, D, Tanaka, A.
Deposit date:2017-12-01
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of hematopoietic prostaglandin D synthase in complex with U004
To Be Published
7YMQ
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BU of 7ymq by Molmil
Crystal structure of lysoplasmalogen specific phopholipase D, F211L mutant
Descriptor: Lysoplasmalogenase
Authors:Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H.
Deposit date:2022-07-29
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
7YMR
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BU of 7ymr by Molmil
Complex structure of lysoplasmalogen specific phopholipase D, F211L mutant with LPC
Descriptor: Lysoplasmalogenase, [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{5}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
Authors:Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H.
Deposit date:2022-07-29
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
7YMP
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BU of 7ymp by Molmil
Crystal structure of lysoplasmalogen specific phospholipase D
Descriptor: Lysoplasmalogenase
Authors:Murayama, K, Kato-Murayama, M, Sugimori, D, Shirouzu, M, Hamana, H.
Deposit date:2022-07-29
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural basis for the substrate specificity switching of lysoplasmalogen-specific phospholipase D from Thermocrispum sp. RD004668.
Biosci.Biotechnol.Biochem., 87, 2022
4MIJ
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BU of 4mij by Molmil
Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-31
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
3IJL
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BU of 3ijl by Molmil
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Pro-D-Glu; nonproductive substrate binding.
Descriptor: D-GLUTAMIC ACID, MAGNESIUM ION, Muconate cycloisomerase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
Deposit date:2009-08-04
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
6AGL
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BU of 6agl by Molmil
Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli
Descriptor: Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive
Authors:Cui, D, Qi, J, Wen, T.
Deposit date:2018-08-13
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
J.Struct.Biol., 206, 2019
5CBV
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BU of 5cbv by Molmil
Human Cyclophilin D Complexed with Inhibitor
Descriptor: FORMIC ACID, Human Cyclophilin D, POTASSIUM ION, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-01
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
5FHL
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BU of 5fhl by Molmil
Extensive amphimorphism in DNA: Three stable conformations for the decadeoxynucleotide d(GCATGCATGC)
Descriptor: DNA (5'-D(*GP*CP*AP*TP*GP*CP*AP*TP*GP*C)-3')
Authors:Thirugnanasambandam, A, Karthik, S, Gautham, N.
Deposit date:2015-12-22
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:DNA polymorphism in crystals: three stable conformations for the decadeoxynucleotide d(GCATGCATGC).
Acta Crystallogr D Struct Biol, 72, 2016
3XIS
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BU of 3xis by Molmil
A METAL-MEDIATED HYDRIDE SHIFT MECHANISM FOR XYLOSE ISOMERASE BASED ON THE 1.6 ANGSTROMS STREPTOMYCES RUBIGINOSUS STRUCTURES WITH XYLITOL AND D-XYLOSE
Descriptor: D-xylose, MAGNESIUM ION, XYLOSE ISOMERASE, ...
Authors:Whitlow, M, Howard, A.J.
Deposit date:1991-03-25
Release date:1992-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A metal-mediated hydride shift mechanism for xylose isomerase based on the 1.6 A Streptomyces rubiginosus structures with xylitol and D-xylose.
Proteins, 9, 1991
7DFP
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BU of 7dfp by Molmil
Human dopamine D2 receptor in complex with spiperone
Descriptor: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, D(2) dopamine receptor,Soluble cytochrome b562, FabH, ...
Authors:Im, D, Shimamura, T, Iwata, S.
Deposit date:2020-11-09
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the dopamine D 2 receptor in complex with the antipsychotic drug spiperone.
Nat Commun, 11, 2020
5UWV
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BU of 5uwv by Molmil
Crystal structure of Mycobacterium abscessus L,D-transpeptidase 2
Descriptor: L,D-TRANSPEPTIDASE 2
Authors:Kumar, P, Ginell, S.L, Lamichhane, G.
Deposit date:2017-02-21
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.
Antimicrob. Agents Chemother., 61, 2017
4N8G
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BU of 4n8g by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0660), Target EFI-501075, with bound D-alanine-D-alanine
Descriptor: CHLORIDE ION, D-ALANINE, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-17
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
3K45
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BU of 3k45 by Molmil
Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
Descriptor: 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2009-10-05
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009

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