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3LAN
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BU of 3lan by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor
Descriptor: 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION
Authors:Lansdon, E.B, Mitchell, M.L.
Deposit date:2010-01-06
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
7SVH
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BU of 7svh by Molmil
Bile Salt Hydrolase B from Lactobacillus gasseri
Descriptor: Choloylglycine hydrolase, MAGNESIUM ION
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7SVJ
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BU of 7svj by Molmil
Bile Salt Hydrolase from Lactobacillus ingluviei
Descriptor: CALCIUM ION, Choloylglycine hydrolase, DI(HYDROXYETHYL)ETHER, ...
Authors:Walker, M.E, Patel, S, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
1BFR
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BU of 1bfr by Molmil
IRON STORAGE AND ELECTRON TRANSPORT
Descriptor: BACTERIOFERRITIN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dautant, A, Yariv, J, Meyer, J.B, Precigoux, G, Sweet, R.M, Frolow, F, Kalb(Gilboa), A.J.
Deposit date:1994-12-16
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure of a monoclinic crystal from of cyctochrome b1 (Bacterioferritin) from E. coli.
Acta Crystallogr.,Sect.D, 54, 1998
7SVI
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BU of 7svi by Molmil
Bile Salt Hydrolase C from Lactobacillus johnsonii
Descriptor: Choloylglycine hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7SVG
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BU of 7svg by Molmil
Bile Salt Hydrolase A from Lactobacillus gasseri with chenodeoxycholate and taurine bound
Descriptor: 2-AMINOETHANESULFONIC ACID, CHENODEOXYCHOLIC ACID, Choloylglycine hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7QJ3
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BU of 7qj3 by Molmil
Structure of recombinant human gamma-Tubulin Ring Complex 8-spoked assembly intermediate (spokes 7-14)
Descriptor: Gamma-tubulin complex component 2, Gamma-tubulin complex component 3, Gamma-tubulin complex component 4, ...
Authors:Zupa, E, Pfeffer, S.
Deposit date:2021-12-16
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Modular assembly of the principal microtubule nucleator gamma-TuRC.
Nat Commun, 13, 2022
7SVK
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BU of 7svk by Molmil
Bile Salt Hydrolase from Lactobacillus reuteri
Descriptor: Choloylglycine hydrolase, SULFATE ION
Authors:Walker, M.E, Beaty, V.V, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7QJ1
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BU of 7qj1 by Molmil
Structure of the recombinant human gamma-Tubulin Ring Complex 6-spoked assembly intermediate (spokes 7-12, homogeneous dataset)
Descriptor: Gamma-tubulin complex component 2, Gamma-tubulin complex component 3, Gamma-tubulin complex component 4, ...
Authors:Zupa, E, Pfeffer, S.
Deposit date:2021-12-16
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Modular assembly of the principal microtubule nucleator gamma-TuRC.
Nat Commun, 13, 2022
7SVE
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BU of 7sve by Molmil
Bile Salt Hydrolase A from Lactobacillus acidophilus
Descriptor: Choloylglycine hydrolase
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7SVF
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BU of 7svf by Molmil
Bile salt hydrolase A from Lactobacillus gasseri with taurine bound
Descriptor: 2-AMINOETHANESULFONIC ACID, Choloylglycine hydrolase, POTASSIUM ION
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bile salt hydrolases shape the bile acid landscape and restrict Clostridioides difficile growth in the murine gut.
Nat Microbiol, 8, 2023
7QJE
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BU of 7qje by Molmil
Structure of recombinant human gamma-Tubulin Ring Complex 4-spoked assembly intermediate (spokes 9-12)
Descriptor: Gamma-tubulin complex component 4, Gamma-tubulin complex component 5, Gamma-tubulin complex component 6, ...
Authors:Tonon, G, Zupa, E, Pfeffer, S.
Deposit date:2021-12-16
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Modular assembly of the principal microtubule nucleator gamma-TuRC.
Nat Commun, 13, 2022
7T8S
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BU of 7t8s by Molmil
Light Harvesting complex phycoerythrin PE 566, from the cryptophyte Cryptomonas pyrenoidifera
Descriptor: Bilin 584 (doubly linked), Bilin 584 (single linked), Bilin 618 (single linked), ...
Authors:Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G.
Deposit date:2021-12-17
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
7QJ0
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BU of 7qj0 by Molmil
Structure of recombinant human gamma-Tubulin Ring Complex 6-spoked assembly intermediate (spokes 7-12)
Descriptor: Gamma-tubulin complex component 2, Gamma-tubulin complex component 3, Gamma-tubulin complex component 4, ...
Authors:Zupa, E, Pfeffer, S.
Deposit date:2021-12-16
Release date:2022-01-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (5.32 Å)
Cite:Modular assembly of the principal microtubule nucleator gamma-TuRC.
Nat Commun, 13, 2022
6DF9
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BU of 6df9 by Molmil
Kaiso (ZBTB33) E535Q zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
3LGH
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BU of 3lgh by Molmil
Crystal structure of NikR from Helicobacter pylori with variable Ni site coordination
Descriptor: MAGNESIUM ION, NICKEL (II) ION, nickel-responsive regulator
Authors:Pozharski, E, St John, F.
Deposit date:2010-01-20
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Holo-Ni(II)HpNikR Is an Asymmetric Tetramer Containing Two Different Nickel-Binding Sites.
J.Am.Chem.Soc., 132, 2010
1B7X
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BU of 1b7x by Molmil
STRUCTURE OF HUMAN ALPHA-THROMBIN Y225I MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE
Descriptor: PROTEIN (INHIBITOR), PROTEIN (THROMBIN HEAVY CHAIN), PROTEIN (THROMBIN LIGHT CHAIN)
Authors:Caccia, S, Futterer, K, Di Cera, E, Waksman, G.
Deposit date:1999-01-25
Release date:1999-03-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unexpected crucial role of residue 225 in serine proteases.
Proc.Natl.Acad.Sci.USA, 96, 1999
3LAW
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BU of 3law by Molmil
Structure of GTP-bound L129F mutant Rab7
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-7a
Authors:McCray, B.A, Skordalakes, E, Taylor, J.P.
Deposit date:2010-01-07
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Disease mutations in Rab7 result in unregulated nucleotide exchange and inappropriate activation.
Hum.Mol.Genet., 19, 2010
8SWF
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BU of 8swf by Molmil
Cryo-EM structure of NLRP3 open octamer
Descriptor: NACHT, LRR and PYD domains-containing protein 3
Authors:Yu, X, Matico, R.E, Miller, R, Schoubroeck, B.V, Grauwen, K, Suarez, J, Pietrak, B, Haloi, N, Yin, Y, Tresadern, G.J, Perez-Benito, L, Lindahl, E, Bottelbergs, A, Oehlrich, D, Opdenbosch, N.V, Sharma, S.
Deposit date:2023-05-18
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Cryo-EM structures of NLRP3 reveal its self-activation mechanism
Nat Commun, 2024
6GVF
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BU of 6gvf by Molmil
Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
Descriptor: 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F.
Deposit date:2018-06-21
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
5H81
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BU of 5h81 by Molmil
HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, heteroyohimbine synthase THAS2
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
3LEE
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BU of 3lee by Molmil
Crystal structure of the human squalene synthase complexed with BPH-652
Descriptor: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION, Squalene synthetase
Authors:Liu, Y.-L, Lin, F.-Y, Oldfield, E.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of Action (and Inhibition) of Head-to-Head Terpene Synthases: A Structural Investigation
To be Published
1B3E
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BU of 1b3e by Molmil
HUMAN SERUM TRANSFERRIN, N-TERMINAL LOBE, EXPRESSED IN PICHIA PASTORIS
Descriptor: CARBONATE ION, FE (III) ION, PROTEIN (SERUM TRANSFERRIN)
Authors:Bewley, M.C, Tam, B.M, Grewal, J, He, S, Shewry, S, Murphy, M.E.P, Mason, A.B, Woodworth, R.C, Baker, E.N, Macgillivray, R.T.A.
Deposit date:1998-12-09
Release date:1999-03-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystallography and mass spectroscopy reveal that the N-lobe of human transferrin expressed in Pichia pastoris is folded correctly but is glycosylated on serine-32.
Biochemistry, 38, 1999
1B8C
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BU of 1b8c by Molmil
PARVALBUMIN
Descriptor: MAGNESIUM ION, PROTEIN (PARVALBUMIN)
Authors:Cates, M.S, Berry, M.B, Ho, E.L, Li, Q, Potter, J.D, Phillips Jr, G.N.
Deposit date:1999-01-29
Release date:1999-02-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin.
Structure Fold.Des., 7, 1999
3LPF
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BU of 3lpf by Molmil
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 1-((6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
Descriptor: 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea, Beta-glucuronidase
Authors:Wallace, B.D, Redinbo, M.R.
Deposit date:2010-02-05
Release date:2010-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010

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