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2XXZ
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BU of 2xxz by Molmil
Crystal structure of the human JMJD3 jumonji domain
Descriptor: 1,2-ETHANEDIOL, 8-hydroxyquinoline-5-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
Authors:Che, K.H, Yue, W.W, Krojer, T, Muniz, J.R.C, Ng, S.S, Tumber, A, Daniel, M, Burgess-Brown, N, Savitsky, P, Ugochukwu, E, Filippakopoulos, P, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-11-12
Release date:2010-11-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Human Jmjd3 Jumonji Domain
To be Published
2VNA
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BU of 2vna by Molmil
Structure of Human Zinc-binding Alcohol Dehydrogenase 1 (ZADH1)
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2
Authors:Shafqat, N, Kavanagh, K, Pike, A.C.W, Muniz, J.R.C, Pilka, E, Roos, A.K, Picaud, S, Johansson, C, Smee, C, Fedorov, O, Kochan, G, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, von Delft, F, Opperman, U.
Deposit date:2008-02-01
Release date:2009-02-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (Zadh1)
To be Published
3AK5
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BU of 3ak5 by Molmil
Hemoglobin protease (Hbp) passenger missing domain-2
Descriptor: CALCIUM ION, Hemoglobin-binding protease hbp
Authors:Nishimura, K, Park, S.-Y, Tame, J.R.H.
Deposit date:2010-07-07
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of domains within the autotransporter Hbp/Tsh
Acta Crystallogr.,Sect.D, 66, 2010
3A3J
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BU of 3a3j by Molmil
Crystal structures of penicillin binding protein 5 from Haemophilus influenzae
Descriptor: PBP5, SULFATE ION
Authors:Kawai, F, Roper, D.I, Park, S.-Y, Tame, J.R.H.
Deposit date:2009-06-12
Release date:2009-12-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of penicillin-binding proteins 4 and 5 from Haemophilus influenzae
J.Mol.Biol., 396, 2010
3A3D
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BU of 3a3d by Molmil
Crystal structure of penicillin binding protein 4 (dacB) from Haemophilus influenzae
Descriptor: GLYCEROL, Penicillin-binding protein 4
Authors:Kawai, F, Roper, D.I, Park, S.-Y, Tame, J.R.H.
Deposit date:2009-06-12
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of penicillin-binding proteins 4 and 5 from Haemophilus influenzae
J.Mol.Biol., 396, 2010
3A3E
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BU of 3a3e by Molmil
Crystal structure of penicillin binding protein 4 (dacB) from Haemophilus influenzae, complexed with novel beta-lactam (CMV)
Descriptor: (2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4
Authors:Kawai, F, Roper, D.I, Park, S.-Y, Tame, J.R.H.
Deposit date:2009-06-12
Release date:2009-12-22
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of penicillin-binding proteins 4 and 5 from Haemophilus influenzae
J.Mol.Biol., 396, 2010
3VMS
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BU of 3vms by Molmil
Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with NBD-Lipid II
Descriptor: Monofunctional glycosyltransferase
Authors:Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C.
Deposit date:2011-12-15
Release date:2012-04-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism
Proc.Natl.Acad.Sci.USA, 109, 2012
3WWF
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BU of 3wwf by Molmil
Crystal structure of the computationally designed Pizza2-SR protein
Descriptor: pizza2sr-pb protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WWB
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BU of 3wwb by Molmil
Crystal structure of the computationally designed Pizza2-SR protein
Descriptor: Pizza2-SR protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WMV
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BU of 3wmv by Molmil
The structure of an anti-cancer lectin mytilec with ligand from the mussel Mytilus galloprovincialis
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Lectin
Authors:Terada, D, Kawai, F, Noguchi, H, Unzai, S, Park, S.-Y, Ozeki, Y, Tame, J.R.H.
Deposit date:2013-11-27
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Crystal structure of MytiLec, a galactose-binding lectin from the mussel Mytilus galloprovincialis with cytotoxicity against certain cancer cell types
Sci Rep, 6, 2016
3WWA
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BU of 3wwa by Molmil
Crystal structure of the computationally designed Pizza7 protein after heat treatment
Descriptor: ISOPROPYL ALCOHOL, Pizza7H protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WBA
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BU of 3wba by Molmil
Rice Os3BGlu6 E178Q with Covalent Glucosyl Moiety from p-nitrophenyl glucopyranoside.
Descriptor: Beta-glucosidase 6, GLYCEROL, alpha-D-glucopyranose
Authors:Sansenya, S, Hua, Y, Cairns, J.R.K.
Deposit date:2013-05-14
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzymatic and structural characterization of hydrolysis of gibberellin A4 glucosyl ester by a rice beta-d-glucosidase
Arch.Biochem.Biophys., 537, 2013
3WW9
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BU of 3ww9 by Molmil
Crystal structure of the computationally designed Pizza6 protein
Descriptor: GLYCEROL, SULFATE ION, pizza6 protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WW7
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BU of 3ww7 by Molmil
Crystal structure of the computationally designed Pizza2 protein
Descriptor: GLYCEROL, Pizza2 protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WBE
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BU of 3wbe by Molmil
Rice Os3BGlu6 Beta-Glucosidase E178Q mutant in a covalent complex with Glc from GA4GE.
Descriptor: Beta-glucosidase 6, GLYCEROL, alpha-D-glucopyranose
Authors:Sansenya, S, Hua, Y, Cairns, J.R.K.
Deposit date:2013-05-14
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Enzymatic and structural characterization of hydrolysis of gibberellin A4 glucosyl ester by a rice beta-d-glucosidase
Arch.Biochem.Biophys., 537, 2013
3WMU
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BU of 3wmu by Molmil
The structure of an anti-cancer lectin mytilec apo-form from the mussel Mytilus galloprovincialis
Descriptor: GLYCEROL, Lectin
Authors:Terada, D, Kawai, F, Noguchi, H, Unzai, S, Park, S.-Y, Ozeki, Y, Tame, J.R.H.
Deposit date:2013-11-27
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of MytiLec, a galactose-binding lectin from the mussel Mytilus galloprovincialis with cytotoxicity against certain cancer cell types
Sci Rep, 6, 2016
3WW8
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BU of 3ww8 by Molmil
Crystal structure of the computationally designed Pizza3 protein
Descriptor: GLYCEROL, Pizza3 protein, SULFATE ION
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZRS
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BU of 3zrs by Molmil
X-ray crystal structure of a KirBac potassium channel highlights a mechanism of channel opening at the bundle-crossing gate.
Descriptor: ATP-SENSITIVE INWARD RECTIFIER POTASSIUM CHANNEL 10, CHLORIDE ION, POTASSIUM ION
Authors:Bavro, V.N, De Zorzi, R, Schmidt, M.R, Muniz, J.R.C, Zubcevic, L, Sansom, M.S.P, Venien-Bryan, C, Tucker, S.J.
Deposit date:2011-06-17
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of a Kirbac Potassium Channel with an Open Bundle Crossing Indicates a Mechanism of Channel Gating
Nat.Struct.Mol.Biol., 19, 2012
4AKV
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BU of 4akv by Molmil
Crystal structure of human sorting nexin 33 (SNX33)
Descriptor: SORTING NEXIN-33, SULFATE ION
Authors:Oberholzer, A, Froese, D.S, Krojer, T, Shrestha, L, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2012-02-29
Release date:2012-08-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Structure of Human Sorting Nexin 33
To be Published
4A60
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BU of 4a60 by Molmil
Crystal structure of human testis-specific fatty acid binding protein 9 (FABP9)
Descriptor: 1,2-ETHANEDIOL, FATTY ACID-BINDING PROTEIN 9 TESTIS LIPID-BINDING PROTEIN, TLBP, ...
Authors:Muniz, J.R.C, Kiyani, W, Shrestha, L, Froese, D.S, Krojer, T, Vollmar, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, von Delft, F, Yue, W.W.
Deposit date:2011-10-31
Release date:2011-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The Crystal Structure of the Human Fabp9A
To be Published
3ZNH
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BU of 3znh by Molmil
Crimean Congo Hemorrhagic Fever Virus OTU domain in complex with ubiquitin-propargyl.
Descriptor: POLYUBIQUITIN-B, UBIQUITIN THIOESTERASE
Authors:Ekkebus, R, vanKasteren, S.I, Kulathu, Y, Scholten, A, Berlin, I, deJong, A, Goerdayal, G, Neefjes, J, Heck, A.J.R, Komander, D, Ovaa, H.
Deposit date:2013-02-14
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:On Terminal Alkynes that Can React with Active-Site Cysteine Nucleophiles in Proteases.
J.Am.Chem.Soc., 135, 2013
4B4O
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BU of 4b4o by Molmil
Crystal Structure of human epimerase family protein SDR39U1 (isoform2) with NADPH
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, EPIMERASE FAMILY PROTEIN SDR39U1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vollmar, M, Muniz, J.R.C, Shafqat, N, Picaud, S, Krojer, T, Chaikuad, A, Pike, A.C.W, Yue, W.W, Filippakopoulos, P, Kavanagh, K.L, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2012-07-31
Release date:2012-08-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human Epimerase Family Protein Sdr39U1 (Isoform2) with Nadph
To be Published
4BC6
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BU of 4bc6 by Molmil
Crystal structure of human serine threonine kinase-10 bound to novel Bosutinib Isoform 1, previously thought to be Bosutinib
Descriptor: 1,2-ETHANEDIOL, 4-[(3,5-DICHLORO-4-METHOXYPHENYL)AMINO]-6-METHOXY-7-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]QUINOLINE-3-CARBONITRILE, SERINE/THREONINE-PROTEIN KINASE 10
Authors:Vollmar, M, Szklarz, M, Chaikuad, A, Elkins, J, Savitsky, P, Azeez, K.A, Salah, E, Krojer, T, Canning, P, Muniz, J.R.C, Bountra, C, Arrowsmith, C.H, von Delft, F, Weigelt, J, Edwards, A, Knapp, S.
Deposit date:2012-10-01
Release date:2012-10-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Human Serine Threonine Kinase- 10 Bound to Novel Bosutinib Isoform 1, Previously Thought to be Bosutinib
To be Published
3ZW5
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BU of 3zw5 by Molmil
Crystal structure of the human Glyoxalase domain-containing protein 5
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYOXALASE DOMAIN-CONTAINING PROTEIN 5, ...
Authors:Muniz, J.R.C, Kiyani, W, Froese, S, Vollmar, M, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W.
Deposit date:2011-07-28
Release date:2011-08-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Human Glyoxalase Domain-Containing Protein 5
To be Published
4BBY
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BU of 4bby by Molmil
MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: WILD-TYPE
Descriptor: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A.
Deposit date:2012-09-28
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012

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