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5FMT
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BU of 5fmt by Molmil
CrIFT54 CH-domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAGELLAR ASSOCIATED PROTEIN, GLYCEROL, ...
Authors:Weber, K, Lorentzen, E.
Deposit date:2015-11-09
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Intraflagellar Transport Proteins 172, 80, 57, 54, 38, and 20 Form a Stable Tubulin-Binding Ift-B2 Complex.
Embo J., 35, 2016
2P0W
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BU of 2p0w by Molmil
Human histone acetyltransferase 1 (HAT1)
Descriptor: ACETAMIDE, ACETATE ION, ACETYL COENZYME *A, ...
Authors:Wu, H, Min, J, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-03-01
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human histone acetyltransferase 1 (HAT1) in complex with acetylcoenzyme A and histone peptide H4
To be Published
5H5F
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BU of 5h5f by Molmil
The crystal structure of the yeast arginine methyltransferase SFM1 complexed with SAM
Descriptor: Protein arginine N-methyltransferase SFM1, S-ADENOSYLMETHIONINE
Authors:Xie, W, Wang, C, Zeng, J.
Deposit date:2016-11-05
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A flexible cofactor-binding loop in the novel arginine methyltransferase Sfm1.
FEBS Lett., 591, 2017
4BCC
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BU of 4bcc by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor
Descriptor: GLYCEROL, PROLYL ENDOPEPTIDASE, TRIS(HYDROXYETHYL)AMINOMETHANE, ...
Authors:VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K.
Deposit date:2012-10-01
Release date:2013-03-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
1ZN2
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BU of 1zn2 by Molmil
Low Resolution Structure of Response Regulator StyR
Descriptor: MAGNESIUM ION, response regulatory protein
Authors:Milani, M, Leoni, L, Rampioni, G, Zennaro, E, Ascenzi, P, Bolognesi, M.
Deposit date:2005-05-11
Release date:2005-09-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:An Active-like Structure in the Unphosphorylated StyR Response Regulator Suggests a Phosphorylation- Dependent Allosteric Activation Mechanism.
STRUCTURE, 13, 2005
1Z4K
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BU of 1z4k by Molmil
Structure of the D41N variant of the human mitochondrial deoxyribonucleotidase in complex with thymidine 3'-monophosphate
Descriptor: 5'(3')-deoxyribonucleotidase, MAGNESIUM ION, THYMIDINE-3'-PHOSPHATE
Authors:Wallden, K, Ruzzenente, B, Rinaldo-Matthis, A, Bianchi, V, Nordlund, P.
Deposit date:2005-03-16
Release date:2005-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
STRUCTURE, 13, 2005
1Z4P
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Structure of the D41N variant of the human mitochondrial deoxyribonucleotidase in complex with deoxyriboguanosine 5'-monophosphate
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, 5'(3')-deoxyribonucleotidase, MAGNESIUM ION
Authors:Wallden, K, Ruzzenente, B, Rinaldo-Matthis, A, Bianchi, V, Nordlund, P.
Deposit date:2005-03-16
Release date:2005-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase
STRUCTURE, 13, 2005
1Z8A
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BU of 1z8a by Molmil
Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor
Descriptor: 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
Authors:Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G.
Deposit date:2005-03-30
Release date:2006-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.
J.Mol.Biol., 356, 2006
1Z89
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Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor
Descriptor: 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
Authors:Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G.
Deposit date:2005-03-30
Release date:2006-03-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.
J.Mol.Biol., 356, 2006
1ZAV
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BU of 1zav by Molmil
Ribosomal Protein L10-L12(NTD) Complex, Space Group P21
Descriptor: 50S ribosomal protein L10, 50S ribosomal protein L7/L12
Authors:Diaconu, M, Kothe, U, Schluenzen, F, Fischer, N, Harms, J.M, Tonevitski, A.G, Stark, H, Rodnina, M.V, Wahl, M.C.
Deposit date:2005-04-07
Release date:2005-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for the Function of the Ribosomal L7/12 Stalk in Factor Binding and GTPase Activation.
Cell(Cambridge,Mass.), 121, 2005
2PPI
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BU of 2ppi by Molmil
Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin
Descriptor: Gigaxonin
Authors:Amos, A, Turnbull, A.P, Tickle, J, Keates, T, Bullock, A, Savitsky, P, Burgess-Brown, N, Debreczeni, J.E, Ugochukwu, E, Umeano, C, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2007-04-30
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin.
To be Published
1XUO
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BU of 1xuo by Molmil
X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution
Descriptor: (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION
Authors:Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K.
Deposit date:2004-10-26
Release date:2005-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1
Bioorg.Med.Chem.Lett., 15, 2005
1XWS
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BU of 1xws by Molmil
Crystal Structure of the human PIM1 kinase domain
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION
Authors:Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K.
Deposit date:2004-11-02
Release date:2004-11-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human PIM1 kinase domain
To be Published
2AC0
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BU of 2ac0 by Molmil
Structural Basis of DNA Recognition by p53 Tetramers (complex I)
Descriptor: 5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION
Authors:Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z.
Deposit date:2005-07-18
Release date:2006-07-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of DNA Recognition by p53 Tetramers
Mol.Cell, 22, 2006
2ADY
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BU of 2ady by Molmil
Structural Basis of DNA Recognition by p53 Tetramers (complex IV)
Descriptor: 5'-D(*CP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION
Authors:Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z.
Deposit date:2005-07-21
Release date:2006-07-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of DNA Recognition by p53 Tetramers
Mol.Cell, 22, 2006
4N4Z
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BU of 4n4z by Molmil
Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L.
Deposit date:2013-10-08
Release date:2014-02-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Serial crystallography on in vivo grown microcrystals using synchrotron radiation.
IUCrJ, 1, 2014
2OVJ
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BU of 2ovj by Molmil
The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Rac GTPase-activating protein 1
Authors:Shrestha, L, Papagrigoriou, E, Soundararajan, M, Elkins, J, Johansson, C, von Delft, F, Pike, A.C.W, Burgess, N, Turnbull, A, Debreczeni, J, Gorrec, F, Umeano, C, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-02-14
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The crystal structure of the human Rac GTPase activating protein 1 (RACGAP1) MgcRacGAP.
To be Published
2OWW
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BU of 2oww by Molmil
Covalent intermediate in amylomaltase in complex with the acceptor analog 4-deoxyglucose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4-alpha-glucanotransferase, 4-deoxy-alpha-D-glucopyranose, ...
Authors:Barends, T.R.M, Bultema, J.B, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2007-02-17
Release date:2007-04-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase.
J.Biol.Chem., 282, 2007
3C8P
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BU of 3c8p by Molmil
X-ray structure of Viscotoxin A1 from Viscum album L.
Descriptor: Viscotoxin A1
Authors:Pal, A, Debreczeni, J.E, Sevvana, M, Gruene, T, Kahle, B, Zeeck, A, Sheldrick, G.M.
Deposit date:2008-02-13
Release date:2008-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone
Acta Crystallogr.,Sect.D, 64, 2008
3C6M
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BU of 3c6m by Molmil
Crystal structure of human spermine synthase in complex with spermine and 5-methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermine synthase
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Pegg, A.E, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2008-02-04
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of human spermine synthase: implications of substrate binding and catalytic mechanism.
J.Biol.Chem., 283, 2008
3C6K
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BU of 3c6k by Molmil
Crystal structure of human spermine synthase in complex with spermidine and 5-methylthioadenosine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, Spermine synthase
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Pegg, A.E, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2008-02-04
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human spermine synthase: implications of substrate binding and catalytic mechanism.
J.Biol.Chem., 283, 2008
5RC9
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BU of 5rc9 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G03b
Descriptor: 3-ethoxybenzene-1-carboximidamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
Deposit date:2020-03-24
Release date:2020-06-03
Last modified:2020-06-17
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
2NZL
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BU of 2nzl by Molmil
Crystal structure of human hydroxyacid oxidase 1
Descriptor: FLAVIN MONONUCLEOTIDE, GLYOXYLIC ACID, Hydroxyacid oxidase 1
Authors:Ugochukwu, E, Kavanagh, K, Pilka, E, Berridge, G, Debreczeni, J.E, Papagrigoriou, E, Turnbull, A, Niesen, F, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-11-24
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of human hydroxyacid oxidase 1
To be Published
2O06
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Human spermidine synthase
Descriptor: 1,4-DIAMINOBUTANE, 5'-DEOXY-5'-METHYLTHIOADENOSINE, MAGNESIUM ION, ...
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-11-27
Release date:2006-12-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of spermidine synthases.
Biochemistry, 46, 2007
2A3K
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Crystal Structure of the Human Protein Tyrosine Phosphatase, PTPN7 (HePTP, Hematopoietic Protein Tyrosine Phosphatase)
Descriptor: PHOSPHATE ION, protein tyrosine phosphatase, non-receptor type 7, ...
Authors:Barr, A, Turnbull, A.P, Das, S, Eswaran, J, Debreczeni, J.E, Longmann, E, Smee, C, Burgess, N, Gileadi, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2005-06-24
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1.
Protein Sci., 15, 2006

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