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PDB: 168 results

5QIH
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BU of 5qih by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2697514548
Descriptor: 1-methylindazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QID
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BU of 5qid by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1787627869
Descriptor: 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIB
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BU of 5qib by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with FMOPL000388a
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione, Hydroxyacid oxidase 1
Authors:MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2018-05-22
Release date:2018-07-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5SBM
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BU of 5sbm by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1267885772
Descriptor: (3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine, 1,2-ETHANEDIOL, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBN
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BU of 5sbn by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z57040482
Descriptor: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.181 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBL
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BU of 5sbl by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z126932614
Descriptor: 1,2-ETHANEDIOL, 2-[(methylsulfonyl)methyl]-1H-benzimidazole, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBK
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BU of 5sbk by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1258992717
Descriptor: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBO
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BU of 5sbo by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434878
Descriptor: 1,2-ETHANEDIOL, 4-[(3,4-dimethoxyphenyl)methyl]morpholine, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.274 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBP
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CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1229798311
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-6-fluorobenzoic acid, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.275 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBQ
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CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z44592329
Descriptor: CD44 antigen, DIMETHYL SULFOXIDE, N-phenyl-N'-pyridin-3-ylurea, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (0.988 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBR
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BU of 5sbr by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1259341012
Descriptor: (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine, 1,2-ETHANEDIOL, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.286 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBT
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BU of 5sbt by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z445856640
Descriptor: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBS
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BU of 5sbs by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z340495298
Descriptor: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.024 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBX
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BU of 5sbx by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z53825479
Descriptor: 1,2-ETHANEDIOL, CD44 antigen, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.051 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBW
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BU of 5sbw by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434874
Descriptor: 1,2-ETHANEDIOL, 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.148 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBY
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BU of 5sby by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1878656559
Descriptor: (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine, 1,2-ETHANEDIOL, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.217 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SBZ
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BU of 5sbz by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z768399682
Descriptor: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SC0
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BU of 5sc0 by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434899
Descriptor: 1,2-ETHANEDIOL, 1-[(thiophen-3-yl)methyl]piperidin-4-ol, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.192 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SC1
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BU of 5sc1 by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512
Descriptor: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.165 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SC2
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BU of 5sc2 by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z190780124
Descriptor: (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide, 1,2-ETHANEDIOL, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.208 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SC4
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BU of 5sc4 by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236
Descriptor: (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one, 1,2-ETHANEDIOL, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.165 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SC6
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BU of 5sc6 by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019
Descriptor: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.327 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
5SC7
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BU of 5sc7 by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120
Descriptor: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, 1,2-ETHANEDIOL, CD44 antigen, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.197 Å)
Cite:CD44 PanDDA analysis group deposition
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
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

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