4A08
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![BU of 4a08 by Molmil](/molmil-images/mine/4a08) | Structure of hsDDB1-drDDB2 bound to a 13 bp CPD-duplex (purine at D-1 position) at 3.0 A resolution (CPD 1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*CP*GP*CP*GP*AP*(TTD)P*GP*CP*GP*CP*CP*C)-3', 5'-D(*TP*GP*GP*GP*CP*GP*CP*CP*CP*TP*CP*GP*CP*G)-3', ... | Authors: | Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H. | Deposit date: | 2011-09-08 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation Cell(Cambridge,Mass.), 147, 2011
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1H9Q
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![BU of 1h9q by Molmil](/molmil-images/mine/1h9q) | H119Q CARBONIC ANHYDRASE II | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | Authors: | Lesburg, C.A, Christianson, D.W. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity. Biochemistry, 36, 1997
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4A0A
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![BU of 4a0a by Molmil](/molmil-images/mine/4a0a) | Structure of hsDDB1-drDDB2 bound to a 16 bp CPD-duplex (pyrimidine at D-1 position) at 3.6 A resolution (CPD 3) | Descriptor: | 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*GP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*DGP)-3', CALCIUM ION, ... | Authors: | Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H. | Deposit date: | 2011-09-08 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation Cell(Cambridge,Mass.), 147, 2011
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2XG3
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![BU of 2xg3 by Molmil](/molmil-images/mine/2xg3) | Human galectin-3 in complex with a benzamido-N-acetyllactoseamine inhibitor | Descriptor: | BENZAMIDE, CHLORIDE ION, Galectin-3, ... | Authors: | Diehl, C, Engstrom, O, Delaine, T, Hakansson, M, Genheden, S, Modig, K, Leffler, H, Ryde, U, Nilsson, U, Akke, M. | Deposit date: | 2010-05-30 | Release date: | 2010-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3. J. Am. Chem. Soc., 132, 2010
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1H9N
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![BU of 1h9n by Molmil](/molmil-images/mine/1h9n) | H119N CARBONIC ANHYDRASE II | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | Authors: | Lesburg, C.A, Christianson, D.W. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity. Biochemistry, 36, 1997
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4A09
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![BU of 4a09 by Molmil](/molmil-images/mine/4a09) | Structure of hsDDB1-drDDB2 bound to a 15 bp CPD-duplex (purine at D-1 position) at 3.1 A resolution (CPD 2) | Descriptor: | 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3', 5'-D(*GP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*GP)-3', CALCIUM ION, ... | Authors: | Scrima, A, Fischer, E.S, Iwai, S, Gut, H, Thoma, N.H. | Deposit date: | 2011-09-08 | Release date: | 2011-11-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Molecular Basis of Crl4(Ddb2/Csa) Ubiquitin Ligase Architecture, Targeting, and Activation Cell(Cambridge,Mass.), 147, 2011
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3EUM
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![BU of 3eum by Molmil](/molmil-images/mine/3eum) | A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6066 | Descriptor: | 3,6-Bis[3-(azepan-1-yl)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION | Authors: | Campbell, N.H, Parkinson, G, Neidle, S. | Deposit date: | 2008-10-10 | Release date: | 2008-10-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Selectivity in Ligand Recognition of G-Quadruplex Loops. Biochemistry, 48, 2009
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3GOM
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![BU of 3gom by Molmil](/molmil-images/mine/3gom) | Barium bound to the Holliday junction sequence d(TCGGCGCCGA)4 | Descriptor: | 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION | Authors: | Naseer, A, Cardin, C.J. | Deposit date: | 2009-03-19 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure determination of an intercalating ruthenium dipyridophenazine complex which kinks DNA by semiintercalation of a tetraazaphenanthrene ligand. Proc.Natl.Acad.Sci.USA, 108, 2011
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1VK8
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![BU of 1vk8 by Molmil](/molmil-images/mine/1vk8) | |
9BQE
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![BU of 9bqe by Molmil](/molmil-images/mine/9bqe) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Young, K.Y, Fanning, S.W. | Deposit date: | 2024-05-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone To Be Published
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9EPX
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![BU of 9epx by Molmil](/molmil-images/mine/9epx) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 | Descriptor: | 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ... | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 To Be Published
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1VHG
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![BU of 1vhg by Molmil](/molmil-images/mine/1vhg) | Crystal structure of ADP compounds hydrolase | Descriptor: | ADP compounds hydrolase nudE | Authors: | Structural GenomiX | Deposit date: | 2003-12-01 | Release date: | 2003-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
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1VHT
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![BU of 1vht by Molmil](/molmil-images/mine/1vht) | |
1VI9
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![BU of 1vi9 by Molmil](/molmil-images/mine/1vi9) | Crystal structure of pyridoxamine kinase | Descriptor: | BETA-MERCAPTOETHANOL, Pyridoxamine kinase, SULFATE ION | Authors: | Structural GenomiX | Deposit date: | 2003-12-01 | Release date: | 2003-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
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8X38
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![BU of 8x38 by Molmil](/molmil-images/mine/8x38) | Crystal Structure of Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium | Descriptor: | ACETATE ION, Decarboxylative Vanillate 1-Hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Suzuki, H, Mori, R, Ishida, T, Igarashi, K, Shimizu, M. | Deposit date: | 2023-11-12 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium To Be Published
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8X1V
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![BU of 8x1v by Molmil](/molmil-images/mine/8x1v) | |
2LGY
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![BU of 2lgy by Molmil](/molmil-images/mine/2lgy) | Ubiquitin-like domain from HOIL-1 | Descriptor: | RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Beasley, S.A, Shaw, G.S. | Deposit date: | 2011-08-03 | Release date: | 2012-06-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the E3 ligase HOIL-1 Ubl domain. Protein Sci., 21, 2012
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5HGI
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![BU of 5hgi by Molmil](/molmil-images/mine/5hgi) | Crystal structure of apo human IRE1 alpha | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ... | Authors: | Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J. | Deposit date: | 2016-01-08 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.584 Å) | Cite: | Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands. Acs Chem.Biol., 11, 2016
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1VH2
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![BU of 1vh2 by Molmil](/molmil-images/mine/1vh2) | |
1VH9
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![BU of 1vh9 by Molmil](/molmil-images/mine/1vh9) | Crystal structure of a putative thioesterase | Descriptor: | Hypothetical protein ybdB | Authors: | Structural GenomiX | Deposit date: | 2003-12-01 | Release date: | 2003-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
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5DUL
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![BU of 5dul by Molmil](/molmil-images/mine/5dul) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-09-18 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH . to be published
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8WST
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![BU of 8wst by Molmil](/molmil-images/mine/8wst) | Cryo-EM structure of Melanin-Concentrating Hormone Receptor 2 with MCH | Descriptor: | 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, Guanine nucleotide-binding protein G(q) subunit alpha-1, ... | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, Shan, H, Hu, W, Wu, K, Xu, H.E, Zhang, Y, Wu, C. | Deposit date: | 2023-10-17 | Release date: | 2024-06-19 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Mechanisms of ligand recognition and activation of melanin-concentrating hormone receptors. Cell Discov, 10, 2024
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8Y0F
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![BU of 8y0f by Molmil](/molmil-images/mine/8y0f) | |
8SHJ
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![BU of 8shj by Molmil](/molmil-images/mine/8shj) | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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3GRR
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![BU of 3grr by Molmil](/molmil-images/mine/3grr) | |