4KVQ
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![BU of 4kvq by Molmil](/molmil-images/mine/4kvq) | Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase wild type with palmitic acid bound | Descriptor: | Aldehyde decarbonylase, FE (III) ION, PALMITIC ACID | Authors: | Levy, C.W, Khara, B, Menon, N, Mansell, D, Das, D, Marsh, E.N.G, Leys, D, Scrutton, N.S. | Deposit date: | 2013-05-23 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.842 Å) | Cite: | Production of propane and other short-chain alkanes by structure-based engineering of ligand specificity in aldehyde-deformylating oxygenase. Chembiochem, 14, 2013
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2CC9
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![BU of 2cc9 by Molmil](/molmil-images/mine/2cc9) | Complexes of Dodecin with Flavin and Flavin-like Ligands | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ... | Authors: | Grininger, M, Zeth, K, Oesterhelt, D. | Deposit date: | 2006-01-13 | Release date: | 2006-01-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dodecins: A Family of Lumichrome Binding Proteins. J.Mol.Biol., 357, 2006
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6MCK
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![BU of 6mck by Molmil](/molmil-images/mine/6mck) | p97 D1D2 with CB5083 bound | Descriptor: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, Transitional endoplasmic reticulum ATPase | Authors: | Xia, D, Tang, W.K. | Deposit date: | 2018-08-31 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Structural Basis of p97 Inhibition by the Site-Selective Anticancer Compound CB-5083. Mol. Pharmacol., 95, 2019
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2CI5
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![BU of 2ci5 by Molmil](/molmil-images/mine/2ci5) | Crystal structure of Dimethylarginine Dimethylaminohydrolase I in complex with L-homocysteine | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, CITRIC ACID, NG, ... | Authors: | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | Deposit date: | 2006-03-17 | Release date: | 2006-05-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inbitors Structure, 14, 2006
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2CIQ
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![BU of 2ciq by Molmil](/molmil-images/mine/2ciq) | Structure-based functional annotation: Yeast ymr099c codes for a D- hexose-6-phosphate mutarotase. | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEXOSE-6-PHOSPHATE MUTAROTASE, ... | Authors: | Graille, M, Baltaze, J.-P, Leulliot, N, Liger, D, Quevillon-Cheruel, S, van Tilbeurgh, H. | Deposit date: | 2006-03-24 | Release date: | 2006-07-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based functional annotation: yeast ymr099c codes for a D-hexose-6-phosphate mutarotase. J. Biol. Chem., 281, 2006
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2CI1
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![BU of 2ci1 by Molmil](/molmil-images/mine/2ci1) | Crystal Structure of dimethylarginine dimethylaminohydrolase I in complex with S-nitroso-Lhomocysteine | Descriptor: | CITRIC ACID, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | Authors: | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | Deposit date: | 2006-03-17 | Release date: | 2006-05-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inhibitors. Structure, 14, 2006
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2C7R
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![BU of 2c7r by Molmil](/molmil-images/mine/2c7r) | |
2CDG
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![BU of 2cdg by Molmil](/molmil-images/mine/2cdg) | Structure and binding kinetics of three different human CD1d-alpha- Galactosylceramide-specific T cell receptors (TCR 5B) | Descriptor: | TCR 5E | Authors: | Gadola, S.D, Koch, M, Marles-Wright, J, Lissin, N.M, Sheperd, D, Matulis, G, Harlos, K, Villiger, P.M, Stuart, D.I, Jakobsen, B.K, Cerundolo, V, Jones, E.Y. | Deposit date: | 2006-01-23 | Release date: | 2006-03-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structrue and Binding Kinetics of Three Different Human Cd1D-Alpha-Galactosylceramide-Specific T Cell Receptors J.Exp.Med., 203, 2006
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2CHZ
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![BU of 2chz by Molmil](/molmil-images/mine/2chz) | A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93 | Descriptor: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M. | Deposit date: | 2006-03-16 | Release date: | 2006-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling Cell(Cambridge,Mass.), 125, 2006
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2CBY
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![BU of 2cby by Molmil](/molmil-images/mine/2cby) | Crystal structure of the ATP-dependent Clp Protease proteolytic subunit 1 (ClpP1) from Mycobacterium tuberculosis | Descriptor: | ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 | Authors: | Mate, M.J, Portnoi, D, Alzari, P.M, Ortiz-Lombardia, M. | Deposit date: | 2006-01-10 | Release date: | 2006-01-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights Into the Inter-Ring Plasticity of Caseinolytic Proteases from the X-Ray Structure of Mycobacterium Tuberculosis Clpp1. Acta Crystallogr.,Sect.D, 63, 2007
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2CC6
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![BU of 2cc6 by Molmil](/molmil-images/mine/2cc6) | Complexes of Dodecin with Flavin and Flavin-like Ligands | Descriptor: | CHLORIDE ION, LUMICHROME, MAGNESIUM ION, ... | Authors: | Grininger, M, Zeth, K, Oesterhelt, D. | Deposit date: | 2006-01-12 | Release date: | 2006-02-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Dodecins: A Family of Lumichrome Binding Proteins. J.Mol.Biol., 357, 2006
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6FF7
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![BU of 6ff7 by Molmil](/molmil-images/mine/6ff7) | human Bact spliceosome core structure | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, BUD13 homolog, ... | Authors: | Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H. | Deposit date: | 2018-01-03 | Release date: | 2019-03-13 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structure and Conformational Dynamics of the Human Spliceosomal BactComplex. Cell, 172, 2018
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2CJE
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![BU of 2cje by Molmil](/molmil-images/mine/2cje) | THE CRYSTAL STRUCTURE OF A COMPLEX OF Leishmania major DUTPASE WITH SUBSTRATE ANALOGUE DUPNHP | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-DIPHOSPHATE, DUTPASE, MAGNESIUM ION | Authors: | Moroz, O.V, Fogg, M.J, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2006-03-31 | Release date: | 2007-04-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine. J.Biol.Chem., 286, 2011
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2CFB
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![BU of 2cfb by Molmil](/molmil-images/mine/2cfb) | Glutamate-1-semialdehyde 2,1-Aminomutase from Thermosynechococcus elongatus | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE | Authors: | Schulze, J.O, Schubert, W.-D, Moser, J, Jahn, D, Heinz, D.W. | Deposit date: | 2006-02-17 | Release date: | 2006-03-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Evolutionary Relationship between Initial Enzymes of Tetrapyrrole Biosynthesis J.Mol.Biol., 358, 2006
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6EXR
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![BU of 6exr by Molmil](/molmil-images/mine/6exr) | CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI | Descriptor: | 120aa long hypothetical chemotaxis protein (CheY) | Authors: | Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D. | Deposit date: | 2017-11-09 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation. Acta Crystallogr.,Sect.F, 75, 2019
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6M0F
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![BU of 6m0f by Molmil](/molmil-images/mine/6m0f) | X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in substrate-free form | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Antibody fragment (9D5) Light chain, Antibody fragment (9D5) heavy chain, ... | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | Deposit date: | 2020-02-21 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun, 12, 2021
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6LSV
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![BU of 6lsv by Molmil](/molmil-images/mine/6lsv) | Crystal structure of JOX2 in complex with 2OG, Fe, and JA | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Probable 2-oxoglutarate-dependent dioxygenase At5g05600, ... | Authors: | Zhang, X, Wang, D, Liu, J. | Deposit date: | 2020-01-20 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Structure-guided analysis of Arabidopsis JASMONATE-INDUCED OXYGENASE (JOX) 2 reveals key residues for recognition of jasmonic acid substrate by plant JOXs. Mol Plant, 14, 2021
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6M2R
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![BU of 6m2r by Molmil](/molmil-images/mine/6m2r) | X-ray structure of a functional Drosophila dopamine transporter in L-norepinephrine bound form | Descriptor: | Antibody fragment 9D5 Light chain, Antibody fragment 9D5 heavy chain, CHLORIDE ION, ... | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | Deposit date: | 2020-02-28 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun, 12, 2021
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6M38
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![BU of 6m38 by Molmil](/molmil-images/mine/6m38) | X-ray structure of a Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in S-duloxetine bound form | Descriptor: | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine, Antibody fragment 9D5 heavy chain, Antibody fragment 9D5 light chain, ... | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | Deposit date: | 2020-03-02 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun, 12, 2021
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6LW4
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![BU of 6lw4 by Molmil](/molmil-images/mine/6lw4) | |
6M3Z
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![BU of 6m3z by Molmil](/molmil-images/mine/6m3z) | X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in milnacipran bound form | Descriptor: | (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide, Antibody fragment 9D5 Light chain, Antibody fragment 9D5 heavy chain, ... | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | Deposit date: | 2020-03-04 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun, 12, 2021
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6M47
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![BU of 6m47 by Molmil](/molmil-images/mine/6m47) | X-ray structure of a Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in tramadol bound form | Descriptor: | (1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol, Antibody fragment 9D5 light chain, Antibody fragment Heavy chain, ... | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | Deposit date: | 2020-03-05 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.252 Å) | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun, 12, 2021
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5MHP
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![BU of 5mhp by Molmil](/molmil-images/mine/5mhp) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | Descriptor: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | Deposit date: | 2016-11-25 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis. J. Med. Chem., 60, 2017
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6M0Z
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![BU of 6m0z by Molmil](/molmil-images/mine/6m0z) | X-ray structure of Drosophila dopamine transporter with NET-like mutations (D121G/S426M/F471L) in L-norepinephrine bound form | Descriptor: | Antibody fragment (Fab) 9D5 Light chain, Antibody fragment (Fab) 9D5 heavy chain, CHLORIDE ION, ... | Authors: | Shabareesh, P, Mallela, A.K, Joseph, D, Penmatsa, A. | Deposit date: | 2020-02-24 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters. Nat Commun, 12, 2021
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7U0S
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![BU of 7u0s by Molmil](/molmil-images/mine/7u0s) | Crystal Structure of FK506-binding protein 1A from Aspergillus fumigatus Bound to Ascomycin | Descriptor: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, ACETATE ION, FK506-binding protein 1A, ... | Authors: | DeBouver, N.D, Fox III, D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-02-18 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
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