5AMI
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![BU of 5ami by Molmil](/molmil-images/mine/5ami) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Wash I structure | Descriptor: | CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION | Authors: | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | Deposit date: | 2015-03-10 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Dynamics of the Cereblon Ligand Binding Domain. Plos One, 10, 2015
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7R5W
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![BU of 7r5w by Molmil](/molmil-images/mine/7r5w) | Crystal structure of YTHDF2 with compound YLI_DF_029 | Descriptor: | 6-cyclopropyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, GLYCEROL, ... | Authors: | Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-11 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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6ME4
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![BU of 6me4 by Molmil](/molmil-images/mine/6me4) | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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2Y5A
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![BU of 2y5a by Molmil](/molmil-images/mine/2y5a) | Cytochrome c peroxidase (CCP) W191G bound to 3-aminopyridine | Descriptor: | 3-AMINOPYRIDINE, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | Authors: | Cappel, D, Wahlstrom, R, Brenk, R, Sotriffer, C.A. | Deposit date: | 2011-01-12 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site. J.Chem.Inf.Model, 51, 2011
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1VYD
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![BU of 1vyd by Molmil](/molmil-images/mine/1vyd) | Crystal structure of cytochrome C2 mutant G95E | Descriptor: | CYTOCHROME C2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dumortier, C, Fitch, J, Van Petegem, F, Vermeulen, W, Meyer, T.E, Van Beeumen, J.J, Cusanovich, M.A. | Deposit date: | 2004-04-27 | Release date: | 2004-06-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Protein Dynamics in the Region of the Sixth Ligand Methionine Revealed by Studies of Imidazole Binding to Rhodobacter Capsulatus Cytochrome C2 Hinge Mutants. Biochemistry, 43, 2004
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5LVZ
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![BU of 5lvz by Molmil](/molmil-images/mine/5lvz) | Crystal structure of yeast 14-3-3 protein from Lachancea thermotolerans | Descriptor: | KLTH0G14146p | Authors: | Klima, M, Boura, E. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of a yeast 14-3-3 protein from Lachancea thermotolerans in the unliganded form and bound to a human lipid kinase PI4KB-derived peptide reveal high evolutionary conservation. Acta Crystallogr.,Sect.F, 72, 2016
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2A7L
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![BU of 2a7l by Molmil](/molmil-images/mine/2a7l) | Structure of the human hypothetical ubiquitin-conjugating enzyme, LOC55284 | Descriptor: | Hypothetical ubiquitin-conjugating enzyme LOC55284, SODIUM ION | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-07-05 | Release date: | 2005-09-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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1PWB
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![BU of 1pwb by Molmil](/molmil-images/mine/1pwb) | High resolution crystal structure of an active recombinant fragment of human lung surfactant protein D with maltose | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-glucopyranose, ... | Authors: | Shrive, A.K, Tharia, H.A, Strong, P, Kishore, U, Burns, I, Rizkallah, P.J, Reid, K.B, Greenhough, T.J. | Deposit date: | 2003-07-01 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution structural insights into ligand binding and immune cell recognition by human lung surfactant protein D J.Mol.Biol., 331, 2003
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1Q0Y
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![BU of 1q0y by Molmil](/molmil-images/mine/1q0y) | Anti-Morphine Antibody 9B1 Complexed with Morphine | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, Fab 9B1, Heavy chain, ... | Authors: | Pozharski, E, Wilson, M.A, Hewagama, A, Shanafelt, A.B, Petsko, G, Ringe, D. | Deposit date: | 2003-07-17 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Anchoring a cationic ligand: the structure of the Fab fragment of the anti-morphine antibody 9B1 and its complex with morphine J.Mol.Biol., 337, 2004
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1PZ4
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![BU of 1pz4 by Molmil](/molmil-images/mine/1pz4) | The structural determination of an insect (mosquito) Sterol Carrier Protein-2 with a ligand bound C16 Fatty Acid at 1.35 A resolution | Descriptor: | PALMITIC ACID, sterol carrier protein 2 | Authors: | Dyer, D.H, Lovell, S, Thoden, J.B, Holden, H.M, Rayment, I, Lan, Q. | Deposit date: | 2003-07-09 | Release date: | 2003-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The Structural Determination of an Insect Sterol Carrier Protein-2 with a Ligand-bound C16 Fatty Acid at 1.35A Resolution J.Biol.Chem., 278, 2003
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2Z7K
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![BU of 2z7k by Molmil](/molmil-images/mine/2z7k) | tRNA-Guanine transglycosylase (TGT) in complex with 2-Amino-lin-Benzoguanine | Descriptor: | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Ritschel, T, Heine, A, Klebe, G. | Deposit date: | 2007-08-24 | Release date: | 2008-08-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT Chembiochem, 10, 2009
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6ME5
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![BU of 6me5 by Molmil](/molmil-images/mine/6me5) | XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | Descriptor: | OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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3DCG
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![BU of 3dcg by Molmil](/molmil-images/mine/3dcg) | Crystal Structure of the HIV Vif BC-box in Complex with Human ElonginB and ElonginC | Descriptor: | Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, Virion infectivity factor | Authors: | Stanley, B.J, Ehrlich, E.S, Short, L, Yu, Y, Xiao, Z, Yu, X.-F, Xiong, Y. | Deposit date: | 2008-06-03 | Release date: | 2008-07-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insight into the human immunodeficiency virus Vif SOCS box and its role in human E3 ubiquitin ligase assembly J.Virol., 82, 2008
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8T55
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![BU of 8t55 by Molmil](/molmil-images/mine/8t55) | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 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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1UX8
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![BU of 1ux8 by Molmil](/molmil-images/mine/1ux8) | X-ray structure of truncated oxygen-avid haemoglobin from Bacillus subtilis | Descriptor: | CHLORIDE ION, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ilari, A, Giangiacomo, L, Boffi, A, Chiancone, E. | Deposit date: | 2004-02-20 | Release date: | 2004-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Truncated Oxygen-Avid Hemoglobin from Bacillus Subtilis: X-Ray Structure and Ligand Binding Properties J.Biol.Chem., 280, 2005
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6ME2
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![BU of 6me2 by Molmil](/molmil-images/mine/6me2) | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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5AMJ
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![BU of 5amj by Molmil](/molmil-images/mine/5amj) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Wash II structure | Descriptor: | CEREBLON ISOFORM 4, PHOSPHATE ION, S-Thalidomide, ... | Authors: | Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B. | Deposit date: | 2015-03-10 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Dynamics of the Cereblon Ligand Binding Domain. Plos One, 10, 2015
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1LT0
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![BU of 1lt0 by Molmil](/molmil-images/mine/1lt0) | Crystal structure of the CN-bound BjFixL heme domain | Descriptor: | CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | Authors: | Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K. | Deposit date: | 2002-05-20 | Release date: | 2002-11-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based mechanism of O2 sensing and ligand discrimination by
the FixL heme domain of Bradyrhizobium japonicum Biochemistry, 41, 2002
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1LSW
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![BU of 1lsw by Molmil](/molmil-images/mine/1lsw) | Crystal structure of the ferrous BjFixL heme domain | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | Authors: | Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K. | Deposit date: | 2002-05-20 | Release date: | 2002-11-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based mechanism of O2 sensing and ligand discrimination by
the FixL heme domain of Bradyrhizobium japonicum Biochemistry, 41, 2002
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4J8T
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![BU of 4j8t by Molmil](/molmil-images/mine/4j8t) | Engineered Digoxigenin binder DIG10.2 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-14 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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8J19
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![BU of 8j19 by Molmil](/molmil-images/mine/8j19) | Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex | Descriptor: | 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | Authors: | Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2023-04-12 | Release date: | 2023-06-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
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8J18
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![BU of 8j18 by Molmil](/molmil-images/mine/8j18) | Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | Authors: | Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2023-04-12 | Release date: | 2023-06-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
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7V0J
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![BU of 7v0j by Molmil](/molmil-images/mine/7v0j) | Crystal structure of a CelR catalytic domain active site mutant with bound cellobiose product | Descriptor: | CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | Deposit date: | 2022-05-10 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR. J.Biol.Chem., 299, 2023
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7UNP
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![BU of 7unp by Molmil](/molmil-images/mine/7unp) | Crystal structure of the CelR catalytic domain and CBM3c | Descriptor: | CALCIUM ION, Glucanase | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | Deposit date: | 2022-04-11 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR. J.Biol.Chem., 299, 2023
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7V0I
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![BU of 7v0i by Molmil](/molmil-images/mine/7v0i) | Crystal structure of a CelR catalytic domain active site mutant with bound cellohexaose substrate | Descriptor: | CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G. | Deposit date: | 2022-05-10 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR. J.Biol.Chem., 299, 2023
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