1S0Z
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![BU of 1s0z by Molmil](/molmil-images/mine/1s0z) | Crystal structure of the VDR LBD complexed to seocalcitol. | Descriptor: | SEOCALCITOL, Vitamin D3 receptor | Authors: | Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D. | Deposit date: | 2004-01-05 | Release date: | 2004-04-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification. J.Med.Chem., 47, 2004
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5TWX
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![BU of 5twx by Molmil](/molmil-images/mine/5twx) | Crystal Structure of BRD9 bromodomain | Descriptor: | Bromodomain-containing protein 9, N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Degradation of the BAF Complex Factor BRD9 by Heterobifunctional Ligands. Angew. Chem. Int. Ed. Engl., 56, 2017
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4Q9I
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![BU of 4q9i by Molmil](/molmil-images/mine/4q9i) | P-glycoprotein cocrystallised with QZ-Ala | Descriptor: | (30F)A(30F)A(30F)A Peptide, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.781 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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6M92
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![BU of 6m92 by Molmil](/molmil-images/mine/6m92) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | Descriptor: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | Deposit date: | 2018-08-22 | Release date: | 2019-04-03 | Last modified: | 2020-01-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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3GMR
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![BU of 3gmr by Molmil](/molmil-images/mine/3gmr) | Structure of mouse CD1d in complex with C8Ph, different space group | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ... | Authors: | Schiefner, A, Wilson, I.A. | Deposit date: | 2009-03-14 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol., 394, 2009
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3GMM
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![BU of 3gmm by Molmil](/molmil-images/mine/3gmm) | Structure of mouse CD1d in complex with C8Ph | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ... | Authors: | Schiefner, A, Wilson, I.A. | Deposit date: | 2009-03-14 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol., 394, 2009
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5TGY
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![BU of 5tgy by Molmil](/molmil-images/mine/5tgy) | NMR structure of holo-PS1 | Descriptor: | PS1, [5,10,15,20-tetrakis(trifluoromethyl)porphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]zinc | Authors: | Polizzi, N.F, Wu, Y. | Deposit date: | 2016-09-28 | Release date: | 2017-08-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of a hyperstable non-natural protein-ligand complex with sub- angstrom accuracy. Nat Chem, 9, 2017
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5TGW
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![BU of 5tgw by Molmil](/molmil-images/mine/5tgw) | NMR structure of apo-PS1 | Descriptor: | PS1 | Authors: | Polizzi, N.F, Wu, Y. | Deposit date: | 2016-09-28 | Release date: | 2017-08-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of a hyperstable non-natural protein-ligand complex with sub- angstrom accuracy. Nat Chem, 9, 2017
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3GML
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![BU of 3gml by Molmil](/molmil-images/mine/3gml) | Structure of mouse CD1d in complex with C6Ph | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ... | Authors: | Schiefner, A, Wilson, I.A. | Deposit date: | 2009-03-14 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol., 394, 2009
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3GMP
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![BU of 3gmp by Molmil](/molmil-images/mine/3gmp) | Structure of mouse CD1d in complex with PBS-25 | Descriptor: | (2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Schiefner, A, Wilson, I.A. | Deposit date: | 2009-03-14 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands. J.Mol.Biol., 394, 2009
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1J14
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![BU of 1j14 by Molmil](/molmil-images/mine/1j14) | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2002-11-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity J.MOL.BIOL., 325, 2003
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2QRL
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![BU of 2qrl by Molmil](/molmil-images/mine/2qrl) | Crystal Structure of Oxalylglycine-bound Saccharopine Dehydrogenase (L-Lys Forming) from Saccharomyces cerevisiae | Descriptor: | N-OXALYLGLYCINE, Saccharopine dehydrogenase, NAD+, ... | Authors: | Andi, B, Xu, H, Cook, P.F, West, A.H. | Deposit date: | 2007-07-28 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of Ligand-Bound Saccharopine Dehydrogenase from Saccharomyces cerevisiae Biochemistry, 46, 2007
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1IOX
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![BU of 1iox by Molmil](/molmil-images/mine/1iox) | 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
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1IP0
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![BU of 1ip0 by Molmil](/molmil-images/mine/1ip0) | 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: | 2001-04-19 | Release date: | 2002-07-31 | 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
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1J17
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![BU of 1j17 by Molmil](/molmil-images/mine/1j17) | |
4Q9J
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![BU of 4q9j by Molmil](/molmil-images/mine/4q9j) | P-glycoprotein cocrystallised with QZ-Val | Descriptor: | Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4Q9L
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![BU of 4q9l by Molmil](/molmil-images/mine/4q9l) | P-glycoprotein cocrystallised with QZ-Phe | Descriptor: | (30F)F(30F)F(30F)F Peptide, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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2GLT
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![BU of 2glt by Molmil](/molmil-images/mine/2glt) | STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 6.0. | Descriptor: | GLUTATHIONE BIOSYNTHETIC LIGASE | Authors: | Matsuda, K, Yamaguchi, H, Kato, H, Nishioka, T, Katsube, Y, Oda, J. | Deposit date: | 1995-05-16 | Release date: | 1995-07-31 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins. Protein Eng., 9, 1996
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2B5M
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![BU of 2b5m by Molmil](/molmil-images/mine/2b5m) | Crystal Structure of DDB1 | Descriptor: | damage-specific DNA binding protein 1 | Authors: | Li, T, Chen, X, Garbutt, K.C, Zhou, P, Zheng, N. | Deposit date: | 2005-09-28 | Release date: | 2006-02-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Structure of DDB1 in complex with a paramyxovirus V protein: viral hijack of a propeller cluster in ubiquitin ligase. Cell(Cambridge,Mass.), 124, 2006
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1JGN
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![BU of 1jgn by Molmil](/molmil-images/mine/1jgn) | 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
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2E39
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![BU of 2e39 by Molmil](/molmil-images/mine/2e39) | Crystal structure of the CN-bound form of Arthromyces ramosus peroxidase at 1.3 Angstroms resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | Authors: | Fukuyama, K, Okada, T. | Deposit date: | 2006-11-22 | Release date: | 2007-03-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of cyanide, nitric oxide and hydroxylamine complexes of Arthromyces ramosusperoxidase at 100 K refined to 1.3 A resolution: coordination geometries of the ligands to the haem iron ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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2E3B
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![BU of 2e3b by Molmil](/molmil-images/mine/2e3b) | Crystal structure of the HA-bound form of Arthromyces ramosus peroxidase at 1.3 Angstroms resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HYDROXYAMINE, ... | Authors: | Fukuyama, K, Okada, T. | Deposit date: | 2006-11-22 | Release date: | 2007-03-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of cyanide, nitric oxide and hydroxylamine complexes of Arthromyces ramosusperoxidase at 100 K refined to 1.3 A resolution: coordination geometries of the ligands to the haem iron ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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8CI6
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![BU of 8ci6 by Molmil](/molmil-images/mine/8ci6) | PBP AccA from A. vitis S4 in complex with D-glucose-2-phosphate (G2P) | Descriptor: | 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ABC transporter substrate binding protein (Agrocinopine) | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2023-02-08 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.199 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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8VAC
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![BU of 8vac by Molmil](/molmil-images/mine/8vac) | Cryogenic electron microscopy structure of human serum albumin in complex with teniposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, Serum albumin | Authors: | Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G. | Deposit date: | 2023-12-11 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The CryoEM structure of human serum albumin in complex with ligands. J.Struct.Biol., 216, 2024
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8C6Y
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![BU of 8c6y by Molmil](/molmil-images/mine/8c6y) | PBP AccA from A. tumefaciens Bo542 in apoform 2 | Descriptor: | 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA | Authors: | Morera, S, Vigouroux, A, legrand, P. | Deposit date: | 2023-01-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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