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1IOX
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BU of 1iox by Molmil
NMR Structure of human Betacellulin-2
Descriptor: Betacellulin
Authors:Miura, K, Doura, H, Aizawa, T, Tada, H, Seno, M, Yamada, H, Kawano, K.
Deposit date:2001-04-18
Release date:2002-07-24
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of betacellulin, a new member of EGF-family ligands.
Biochem.Biophys.Res.Commun., 294, 2002
5N75
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BU of 5n75 by Molmil
14-3-3 sigma in complex with TAZ pS89 peptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Sijbesma, E, Leysen, S, Ottmann, C.
Deposit date:2017-02-19
Release date:2017-07-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
6ID1
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BU of 6id1 by Molmil
Cryo-EM structure of a human intron lariat spliceosome after Prp43 loaded (ILS2 complex) at 2.9 angstrom resolution
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ...
Authors:Zhang, X, Zhan, X, Yan, C, Shi, Y.
Deposit date:2018-09-07
Release date:2019-03-13
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
5ORB
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BU of 5orb by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 30
Descriptor: 1,2-ETHANEDIOL, 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A.
Deposit date:2017-08-15
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
9EGW
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BU of 9egw by Molmil
HOIL-1 RING2 domain bound to ubiquitin-maltose (maltose not modelled)
Descriptor: CHLORIDE ION, Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, ...
Authors:Wang, X.S, Lechtenberg, B.C.
Deposit date:2024-11-21
Release date:2024-12-11
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The RBR E3 ubiquitin ligase HOIL-1 can ubiquitinate diverse non-protein substrates in vitro.
Life Sci Alliance, 8, 2025
9EGV
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BU of 9egv by Molmil
HOIL-1 RING2 domain bound to ubiquitin
Descriptor: CHLORIDE ION, Polyubiquitin-C, RanBP-type and C3HC4-type zinc finger-containing protein 1, ...
Authors:Wang, X.S, Lechtenberg, B.C.
Deposit date:2024-11-21
Release date:2024-12-11
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The RBR E3 ubiquitin ligase HOIL-1 can ubiquitinate diverse non-protein substrates in vitro.
Life Sci Alliance, 8, 2025
8XIQ
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BU of 8xiq by Molmil
Structure of L796778-SSTR3 G protein complex
Descriptor: G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3.
Proc.Natl.Acad.Sci.USA, 121, 2024
4YMA
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BU of 4yma by Molmil
Structure of the ligand-binding domain of GluA2 in complex with the antagonist CNG10109
Descriptor: (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K.
Deposit date:2015-03-06
Release date:2015-08-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
1F5P
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BU of 1f5p by Molmil
2.9 ANGSTROM CRYSTAL STRUCTURE OF LAMPREY HEMOGLOBIN THAT HAS BEEN EXPOSED TO CARBON MONOXIDE.
Descriptor: CARBON MONOXIDE, HEMOGLOBIN V, PROTOPORPHYRIN IX CONTAINING FE
Authors:Heaslet, H.A, Royer Jr, W.E.
Deposit date:2000-06-15
Release date:2000-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystalline ligand transitions in lamprey hemoglobin. Structural evidence for the regulation of oxygen affinity.
J.Biol.Chem., 276, 2001
1I45
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BU of 1i45 by Molmil
YEAST TRIOSEPHOSPHATE ISOMERASE (MUTANT)
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:Rozovsky, S, Jogl, G, Tong, L, McDermott, A.E.
Deposit date:2001-02-19
Release date:2001-06-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Solution-state NMR investigations of triosephosphate isomerase active site loop motion: ligand release in relation to active site loop dynamics.
J.Mol.Biol., 310, 2001
1A6R
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BU of 1a6r by Molmil
GAL6 (YEAST BLEOMYCIN HYDROLASE) MUTANT C73A
Descriptor: GAL6, SULFATE ION
Authors:Joshua-Tor, L, Zheng, W, Johnston, S.A.
Deposit date:1998-02-27
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The unusual active site of Gal6/bleomycin hydrolase can act as a carboxypeptidase, aminopeptidase, and peptide ligase.
Cell(Cambridge,Mass.), 93, 1998
7BS8
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BU of 7bs8 by Molmil
Bovine Pancreatic Trypsin with Benzamidine (Cryo)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS2
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BU of 7bs2 by Molmil
Bovine Pancreatic Trypsin with serotonin (Room Temperature)
Descriptor: CALCIUM ION, Cationic trypsin, SEROTONIN, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
8XIO
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BU of 8xio by Molmil
Structure of L797591-SSTR1 G protein complex
Descriptor: (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide, G-alpha-i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XIR
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BU of 8xir by Molmil
Structure of pasireotide-SSTR3 G protein complex
Descriptor: G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XIP
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BU of 8xip by Molmil
Structure of Pasireotide-SSTR1 G protein complex
Descriptor: 004-DTR-LYS-TY5-PHE-A1D5E, G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3.
Proc.Natl.Acad.Sci.USA, 121, 2024
7BRY
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BU of 7bry by Molmil
Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Room Temperature)
Descriptor: 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS5
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BU of 7bs5 by Molmil
Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Cryo)
Descriptor: 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS1
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BU of 7bs1 by Molmil
Bovine Pancreatic Trypsin with benzamidine (Room Temperature)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS9
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BU of 7bs9 by Molmil
Bovine Pancreatic Trypsin with serotonin (Cryo)
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
5OR8
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BU of 5or8 by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide
Authors:Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A.
Deposit date:2017-08-15
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
4K9V
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BU of 4k9v by Molmil
Complex of CYP3A4 with a desoxyritonavir analog
Descriptor: 1,3-thiazol-5-ylmethyl [(3S,6S)-6-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-seryl]amino}octan-3-yl]carbamate, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2013-04-21
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
1JGN
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BU of 1jgn by Molmil
Solution structure of the C-terminal PABC domain of human poly(A)-binding protein in complex with the peptide from Paip2
Descriptor: polyadenylate-binding protein 1, polyadenylate-binding protein-interacting protein 2
Authors:Kozlov, G, Siddiqui, N, Coillet-Matillon, S, Ekiel, I, Gehring, K.
Deposit date:2001-06-26
Release date:2003-06-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural basis of ligand recognition by PABC, a highly specific peptide-binding domain found in poly(A)-binding protein and a HECT ubiquitin ligase
EMBO J., 23, 2004
2G94
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BU of 2g94 by Molmil
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
Descriptor: Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
Authors:Hong, L, Ghosh, A, Tang, J.
Deposit date:2006-03-05
Release date:2006-04-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128, 2006
7QRV
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BU of 7qrv by Molmil
Crystal structure of NHL domain of TRIM2 (full C-terminal)
Descriptor: 1,2-ETHANEDIOL, Tripartite motif-containing protein 2
Authors:Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-12
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022

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