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1K7K
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crystal structure of RdgB- inosine triphosphate pyrophosphatase from E. coli
Descriptor: Hypothetical protein yggV
Authors:Sanishvili, R, Joachimiak, A, Edwards, A, Savchenko, A, Skarina, T, Midwest Center for Structural Genomics (MCSG)
Deposit date:2001-10-19
Release date:2002-08-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis of the antimutagenic activity of the house-cleaning inosine triphosphate pyrophosphatase RdgB from Escherichia coli.
J.Mol.Biol., 374, 2007
1K7H
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BU of 1k7h by Molmil
CRYSTAL STRUCTURE OF SHRIMP ALKALINE PHOSPHATASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALKALINE PHOSPHATASE, MALEIC ACID, ...
Authors:De Backer, M.E, Mc Sweeney, S, Rasmussen, H.B, Riise, B.W, Lindley, P, Hough, E.
Deposit date:2001-10-19
Release date:2002-07-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The 1.9 A Crystal Structure of Heat-Labile Shrimp Alkaline Phosphatase
J.Mol.Biol., 318, 2002
8GUF
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BU of 8guf by Molmil
Crystal structure of cyclic B subunit of type II heat labile enterotoxin
Descriptor: Heat-labile enterotoxin IIB, B chain
Authors:Peng, Y.J, Wu, C.Y, Sue, S.C.
Deposit date:2022-09-12
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of cyclic B subunit of type II heat labile enterotoxin
To Be Published
1K9Y
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BU of 1k9y by Molmil
The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ...
Authors:Patel, S, Albert, A, Blundell, T.L.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases.
J.Mol.Biol., 320, 2002
8GVD
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BU of 8gvd by Molmil
SARS-CoV-2 Mpro in complex with D-4-38
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 3C-like proteinase nsp5
Authors:Liu, M, Huang, H.
Deposit date:2022-09-14
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:SARS-CoV-2 Mpro in complex with D-4-38
To Be Published
6ZGZ
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BU of 6zgz by Molmil
Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
Descriptor: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ...
Authors:Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
Deposit date:2020-06-20
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
1K53
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BU of 1k53 by Molmil
Monomeric Protein L B1 Domain with a G15A Mutation
Descriptor: Protein L, ZINC ION
Authors:O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
Deposit date:2001-10-09
Release date:2001-12-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
6Z28
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BU of 6z28 by Molmil
Carboxypeptidase T mutant L254N with N-sulfamoyl-L-glutamic acid
Descriptor: CALCIUM ION, Carboxypeptidase T, N-sulfamoyl-L-glutamic acid, ...
Authors:Timofeev, V.I, Akparov, V.K, Kuranova, I.P.
Deposit date:2020-05-15
Release date:2020-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CARBOXYPEPTIDASE T MUTANT L254N WITH WITH N-SULFAMOYL-L-GLUT
To Be Published
6ZHK
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BU of 6zhk by Molmil
Crystal structure of adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Methanocaldococcus jannaschii DSM 2661
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, MAGNESIUM ION
Authors:Boyko, K.M, Nikolaeva, T.N, Stekhanova, T.N, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O.
Deposit date:2020-06-23
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-Dimensional Structure of Thermostable D-Amino Acid Transaminase from the Archaeon Methanocaldococcus jannaschii DSM 2661
Crystallography Reports, 2021
6ZI3
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BU of 6zi3 by Molmil
Crystal structure of OleP-6DEB bound to L-rhamnose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, ...
Authors:Montemiglio, L.C, Savino, C, Vallone, B, Parisi, G, Freda, I.
Deposit date:2020-06-24
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
6ZLA
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BU of 6zla by Molmil
Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with NAD
Descriptor: Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Iacovino, L.G, Mattevi, A.
Deposit date:2020-06-30
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
2E8W
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BU of 2e8w by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
6Z4C
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BU of 6z4c by Molmil
The structure of the N-terminal domain of RssB from E. coli
Descriptor: Regulator of RpoS
Authors:Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
Deposit date:2020-05-25
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
8EV4
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BU of 8ev4 by Molmil
NlpC B3 - Trichomonas Vaginalis
Descriptor: Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-10-19
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:NlpC/P60 peptidoglycan hydrolases of Trichomonas vaginalis have complementary activities that empower the protozoan to control host-protective lactobacilli.
Plos Pathog., 19, 2023
2E90
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BU of 2e90 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, pyrophosphate and FPP
Descriptor: FARNESYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ...
Authors:Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
6Z52
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BU of 6z52 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2003136
Descriptor: 1,2-ETHANEDIOL, 11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, CHLORIDE ION, ...
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of CLK3 in complex with macrocycle ODS2003136
To Be Published
6Z5E
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BU of 6z5e by Molmil
Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ...
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004093
To Be Published
6ZFX
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BU of 6zfx by Molmil
hSARM1 GraFix-ed
Descriptor: (~{E})-4-methylnon-4-enedial, NAD(+) hydrolase SARM1
Authors:Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y.
Deposit date:2020-06-18
Release date:2020-11-18
Last modified:2022-11-09
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
8AR3
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BU of 8ar3 by Molmil
Solution structure of TLR9 transmembrane and cytoplasmic juxtamembrane regions
Descriptor: Toll-like receptor 9
Authors:Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S.
Deposit date:2022-08-15
Release date:2023-03-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors.
Nat Commun, 14, 2023
6ZHB
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BU of 6zhb by Molmil
3D electron diffraction structure of bovine insulin
Descriptor: Insulin, ZINC ION
Authors:Blum, T, Housset, D, Clabbers, M.T.B, van Genderen, E, Bacia-Verloop, M, Zander, U, McCarthy, A.A, Schoehn, G, Ling, W.L, Abrahams, J.P.
Deposit date:2020-06-22
Release date:2021-01-27
Last modified:2024-01-24
Method:ELECTRON CRYSTALLOGRAPHY (3.25 Å)
Cite:Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals.
Acta Crystallogr D Struct Biol, 77, 2021
6ZI2
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BU of 6zi2 by Molmil
OleP-oleandolide(DEO) in low salt crystallization conditions
Descriptor: (3~{R},4~{S},5~{R},6~{S},7~{S},9~{S},11~{R},12~{S},13~{R},14~{R})-3,5,7,9,11,13,14-heptamethyl-4,6,12-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Savino, C, Montemiglio, L.C, Vallone, B, Parisi, G, Cecchetti, C.
Deposit date:2020-06-24
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate.
Biomolecules, 10, 2020
8AR2
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BU of 8ar2 by Molmil
Solution structure of TLR5 transmembrane and cytoplasmic juxtamembrane regions
Descriptor: Toll-like receptor 5
Authors:Shabalkina, A.V, Kornilov, F.D, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S.
Deposit date:2022-08-15
Release date:2023-03-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors.
Nat Commun, 14, 2023
8EV5
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BU of 8ev5 by Molmil
NlpC B3 covalently bound with E64 inhibitor fragment
Descriptor: Clan CA, family C40, NlpC/P60 superfamily cysteine peptidase, ...
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-10-19
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:NlpC/P60 peptidoglycan hydrolases of Trichomonas vaginalis have complementary activities that empower the protozoan to control host-protective lactobacilli.
Plos Pathog., 19, 2023
6ZLK
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BU of 6zlk by Molmil
Equilibrium Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Glucuronic acid/UDP-Galacturonic acid and NAD
Descriptor: (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Mattevi, A.
Deposit date:2020-06-30
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
8AR0
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BU of 8ar0 by Molmil
Solution structure of TLR2 transmembrane and cytoplasmic juxtamembrane regions
Descriptor: Toll-like receptor 2
Authors:Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S.
Deposit date:2022-08-15
Release date:2023-03-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors.
Nat Commun, 14, 2023

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