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5QR3
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BU of 5qr3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z915492990
Descriptor: 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQV
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BU of 5qqv by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1545312521
Descriptor: (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QR9
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BU of 5qr9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31478129
Descriptor: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQU
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BU of 5qqu by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854
Descriptor: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRB
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BU of 5qrb by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434868
Descriptor: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, 5-aminolevulinate synthase, erythroid-specific, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQT
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BU of 5qqt by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434834
Descriptor: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QR8
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BU of 5qr8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z57258487
Descriptor: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QT3
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BU of 5qt3 by Molmil
Ground state model of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 - SGC Diamond Xchem fragment screening
Descriptor: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-06-28
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5R5Z
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BU of 5r5z by Molmil
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z2856434821
Descriptor: 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol, Tenascin C (Hexabrachion), isoform CRA_a
Authors:Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D.
Deposit date:2020-02-28
Release date:2020-10-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PanDDA analysis group deposition
To Be Published
5RW0
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BU of 5rw0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z2444997446
Descriptor: 1-{(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}methanamine, MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ...
Authors:Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2020-10-27
Release date:2020-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R5T
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BU of 5r5t by Molmil
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1251207602
Descriptor: 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine, Tenascin C (Hexabrachion), isoform CRA_a
Authors:Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D.
Deposit date:2020-02-28
Release date:2020-10-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis group deposition
To Be Published
2WEK
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BU of 2wek by Molmil
Crystal structure of the human MGC45594 gene product in complex with diclofenac
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Shafqat, N, Yue, W.W, Ugochukwu, E, Niesen, F, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-03-31
Release date:2009-12-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Human Mgc45594 Gene Product in Complex with Diclofenac
To be Published
2W98
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BU of 2w98 by Molmil
CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE
Descriptor: (2S)-2-hydroxybutanedioic acid, 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, CHLORIDE ION, ...
Authors:Shafqat, N, Yue, W.W, Muniz, J, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-01-22
Release date:2009-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
2WM3
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BU of 2wm3 by Molmil
Crystal structure of NmrA-like family domain containing protein 1 in complex with niflumic acid
Descriptor: 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Bhatia, C, Yue, W.W, Niesen, F, Pilka, E, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-06-29
Release date:2009-08-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
To be Published
2WMD
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BU of 2wmd by Molmil
Crystal structure of NmrA-like family domain containing protein 1 in complex with NADP and 2-(4-chloro-phenylamino)-nicotinic acid
Descriptor: 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1
Authors:Bhatia, C, Pilka, E, Niesen, F, Yue, W.W, Ugochukwu, E, Savitsky, P, Hozjan, V, Roos, A.K, Filippakopoulos, P, von Delft, F, Heightman, T, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-06-30
Release date:2009-07-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1
To be Published
2VWR
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BU of 2vwr by Molmil
Crystal structure of the second pdz domain of numb-binding protein 2
Descriptor: LIGAND OF NUMB PROTEIN X 2
Authors:Roos, A.K, Guo, K, Burgess-Brown, N, Yue, W.W, Elkins, J.M, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Wikstom, M, Edwards, A, von Delft, F, Bountra, C, Doyle, D, Oppermann, U.
Deposit date:2008-06-26
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of the Second Pdz Domain of the Human Numb-Binding Protein 2
To be Published
2W4M
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BU of 2w4m by Molmil
The Crystal Structure of human N-acetylneuraminic acid phosphatase, NANP
Descriptor: CHLORIDE ION, N-ACYLNEURAMINATE-9-PHOSPHATASE, PHOSPHATE ION, ...
Authors:Ugochukwu, E, Cocking, R, Yue, W.W, Pike, A.C.W, Roos, A, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
Deposit date:2008-11-28
Release date:2008-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of Human N-Acetylneuraminic Acid Phosphatase, Nanp
To be Published
2W4Q
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BU of 2w4q by Molmil
Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary complex with NADP and 18beta-glycyrrhetinic acid
Descriptor: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2, ...
Authors:Shafqat, N, Yue, W.W, Ugochukwu, E, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2008-11-30
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
2W2J
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BU of 2w2j by Molmil
Crystal structure of the human carbonic anhydrase related protein VIII
Descriptor: CARBONIC ANHYDRASE-RELATED PROTEIN, CHLORIDE ION, GLYCEROL, ...
Authors:Kramm, A, Muniz, J.R.C, Picaud, S.S, von Delft, F, Pilka, E.S, Yue, W.W, King, O.N.F, Kochan, G, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2008-10-31
Release date:2009-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Human Carbonic Anhydrase-Related Protein Viii Reveals the Basis for Catalytic Silencing.
Proteins, 76, 2009
2X7H
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BU of 2x7h by Molmil
Crystal structure of the human MGC45594 gene product in complex with fenoprofen
Descriptor: 1,2-ETHANEDIOL, FENOPROFEN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Shafqat, N, Yue, W.W, Ugochukwu, E, Niesen, F, Vollmar, M, Chaikuad, A, Pike, A.C.W, von Delft, F, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2010-02-26
Release date:2010-12-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Human Mgc45594 Gene Product in Complex with Fenoprofen
To be Published
2X1H
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BU of 2x1h by Molmil
Crystal structure of the human MGC45594 gene product in complex with raloxifene
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC-BINDING ALCOHOL DEHYDROGENASE DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Shafqat, N, Yue, W.W, Pike, A.C.W, Niesen, F, Ugochukwu, E, Krojer, T, Chaikuad, A, Smee, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-12-24
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Human Mgc45594 Gene Product in Complex with Raloxifene
To be Published
2WWW
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BU of 2www by Molmil
Crystal Structure of Methylmalonic Acidemia Type A Protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, METHYLMALONIC ACIDURIA TYPE A PROTEIN, MITOCHONDRIAL, ...
Authors:Muniz, J.R.C, Gileadi, C, Froese, D.S, Yue, W.W, Pike, A.C.W, von Delft, F, Kochan, G, Sethi, R, Chaikuad, A, Pilka, E, Picaud, S, Phillips, C, Guo, K, Krysztofinska, E, Bray, J, Burgess-Brown, N, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gravel, R.A, Kavanagh, K.L, Oppermann, U.
Deposit date:2009-10-30
Release date:2009-11-17
Last modified:2013-11-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation.
J.Biol.Chem., 285, 2010
7NVL
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BU of 7nvl by Molmil
Human TRiC complex in closed state with nanobody bound (Consensus Map)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2021-03-15
Release date:2022-03-02
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
7NVO
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BU of 7nvo by Molmil
Human TRiC complex in open state with nanobody bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W.
Deposit date:2021-03-15
Release date:2022-03-02
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
7NVN
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BU of 7nvn by Molmil
Human TRiC complex in closed state with nanobody and tubulin bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W.
Deposit date:2021-03-15
Release date:2022-03-02
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022

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