8QZD
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![BU of 8qzd by Molmil](/molmil-images/mine/8qzd) | Soluble epoxide hydrolase in complex with Epoxykinin | Descriptor: | 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ... | Authors: | Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-10-27 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator. J.Med.Chem., 67, 2024
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1D4B
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![BU of 1d4b by Molmil](/molmil-images/mine/1d4b) | CIDE-N DOMAIN OF HUMAN CIDE-B | Descriptor: | HUMAN CELL DEATH-INDUCING EFFECTOR B | Authors: | Lugovskoy, A, Zhou, P, Chou, J, McCarty, J, Li, P, Wagner, G. | Deposit date: | 1999-10-02 | Release date: | 1999-12-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the CIDE-N domain of CIDE-B and a model for CIDE-N/CIDE-N interactions in the DNA fragmentation pathway of apoptosis. Cell(Cambridge,Mass.), 99, 1999
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7KD9
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![BU of 7kd9 by Molmil](/molmil-images/mine/7kd9) | Crystal Structure of Gallic Acid Decarboxylase from Arxula adeninivorans | Descriptor: | Gallate decarboxylase, POTASSIUM ION | Authors: | Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J. | Deposit date: | 2020-10-08 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists. Sci Rep, 11, 2021
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7JMR
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![BU of 7jmr by Molmil](/molmil-images/mine/7jmr) | Crystal structure of the pea pathogenicity protein 2 from Madurella mycetomatis | Descriptor: | CALCIUM ION, POTASSIUM ION, Pea pathogenicity protein 2 | Authors: | Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J. | Deposit date: | 2020-08-02 | Release date: | 2021-02-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists. Sci Rep, 11, 2021
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7JMV
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![BU of 7jmv by Molmil](/molmil-images/mine/7jmv) | Crystal structure of the pea pathogenicity protein 2 from Madurella mycetomatis complexed with 4-nitrocatechol | Descriptor: | 4-NITROCATECHOL, CALCIUM ION, POTASSIUM ION, ... | Authors: | Zeug, M, Markovic, N, Iancu, C.V, Tripp, J, Oreb, M, Choe, J. | Deposit date: | 2020-08-03 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal structures of non-oxidative decarboxylases reveal a new mechanism of action with a catalytic dyad and structural twists. Sci Rep, 11, 2021
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5U6M
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![BU of 5u6m by Molmil](/molmil-images/mine/5u6m) | Crystal structure of UDP-glucosyltransferase, UGT74F2, with UDP and salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, UDP-glycosyltransferase 74F2, URIDINE-5'-DIPHOSPHATE, ... | Authors: | George Thompson, A.M, Iancu, C.V, Dean, J.V, Choe, J. | Deposit date: | 2016-12-08 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.568 Å) | Cite: | Differences in salicylic acid glucose conjugations by UGT74F1 and UGT74F2 from Arabidopsis thaliana. Sci Rep, 7, 2017
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5U6S
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![BU of 5u6s by Molmil](/molmil-images/mine/5u6s) | Crystal structure of UDP-glucosyltransferase, UGT74F2, with UDP and 2-bromobenzoic acid | Descriptor: | 2-bromobenzoic acid, UDP-glycosyltransferase 74F2, URIDINE-5'-DIPHOSPHATE, ... | Authors: | George Thompson, A.M, Iancu, C.V, Dean, J.V, Choe, J. | Deposit date: | 2016-12-08 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Differences in salicylic acid glucose conjugations by UGT74F1 and UGT74F2 from Arabidopsis thaliana. Sci Rep, 7, 2017
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7TQG
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![BU of 7tqg by Molmil](/molmil-images/mine/7tqg) | Crystal Structure of IOMA Fab inferred germline | Descriptor: | IOMA iGL Fab Heavy Chain, IOMA iGL Fab Light Chain | Authors: | Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2022-01-26 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | CD4 binding site immunogens elicit heterologous anti-HIV-1 neutralizing antibodies in transgenic and wild-type animals. Sci Immunol, 8, 2023
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8W1L
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![BU of 8w1l by Molmil](/molmil-images/mine/8w1l) | |
1JPT
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![BU of 1jpt by Molmil](/molmil-images/mine/1jpt) | Crystal Structure of Fab D3H44 | Descriptor: | immunoglobulin Fab D3H44, heavy chain, immunoglobulin Fab D3h44, ... | Authors: | Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A. | Deposit date: | 2001-08-03 | Release date: | 2002-02-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites. J.Mol.Biol., 313, 2001
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4HFR
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![BU of 4hfr by Molmil](/molmil-images/mine/4hfr) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | Authors: | Ogg, D.J, Gerhardt, S, Hargreaves, D. | Deposit date: | 2012-10-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017) J.Med.Chem., 55, 2012
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1JPS
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![BU of 1jps by Molmil](/molmil-images/mine/1jps) | Crystal structure of tissue factor in complex with humanized Fab D3h44 | Descriptor: | immunoglobulin Fab D3H44, heavy chain, light chain, ... | Authors: | Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A. | Deposit date: | 2001-08-03 | Release date: | 2002-02-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites. J.Mol.Biol., 313, 2001
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1KTX
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![BU of 1ktx by Molmil](/molmil-images/mine/1ktx) | KALIOTOXIN (1-37) SHOWS STRUCTURAL DIFFERENCES WITH RELATED POTASSIUM CHANNEL BLOCKERS | Descriptor: | KALIOTOXIN | Authors: | Fernandez, I, Romi, R, Szendefi, S, Martin-Eauclaire, M.-F, Rochat, H, Van Rietschtoten, J, Pons, M, Giralt, E. | Deposit date: | 1994-06-02 | Release date: | 1995-01-26 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Kaliotoxin (1-37) shows structural differences with related potassium channel blockers. Biochemistry, 33, 1994
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1ZIV
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![BU of 1ziv by Molmil](/molmil-images/mine/1ziv) | Catalytic Domain of Human Calpain-9 | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, Calpain 9 | Authors: | Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Dong, A, Choe, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-04-27 | Release date: | 2005-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The crystal structures of human calpains 1 and 9 imply diverse mechanisms of action and auto-inhibition. J.Mol.Biol., 366, 2007
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1CJ1
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![BU of 1cj1 by Molmil](/molmil-images/mine/1cj1) | GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE | Descriptor: | PROTEIN (GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2), [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER | Authors: | Rahuel, J. | Deposit date: | 1999-04-21 | Release date: | 1999-12-22 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-based design, synthesis, and X-ray crystallography of a high-affinity antagonist of the Grb2-SH2 domain containing an asparagine mimetic. J.Med.Chem., 42, 1999
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7LGH
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![BU of 7lgh by Molmil](/molmil-images/mine/7lgh) | |
7LGG
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![BU of 7lgg by Molmil](/molmil-images/mine/7lgg) | |
6HRG
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![BU of 6hrg by Molmil](/molmil-images/mine/6hrg) | Structure of Igni18, a novel metallo hydrolase from the hyperthermophilic archaeon Ignicoccus hospitalis KIN4/I | Descriptor: | PHOSPHATE ION, POTASSIUM ION, UPF0173 metal-dependent hydrolase Igni_1254, ... | Authors: | Smits, S.H, Streit, W.R, Jaeger, K.E, Hoeppner, A. | Deposit date: | 2018-09-26 | Release date: | 2019-10-09 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A promiscuous ancestral enzyme ́s structure unveils protein variable regions of the highly diverse metallo-beta-lactamase family. Commun Biol, 4, 2021
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7LGF
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7LGE
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7LHD
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![BU of 7lhd by Molmil](/molmil-images/mine/7lhd) | The complete model of phage Qbeta virion | Descriptor: | Capsid protein, Genomic RNA, Maturation protein A2 | Authors: | Chang, J.Y, Zhang, J. | Deposit date: | 2021-01-22 | Release date: | 2022-01-26 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural Assembly of Q beta Virion and Its Diverse Forms of Virus-like Particles. Viruses, 14, 2022
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6HTV
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![BU of 6htv by Molmil](/molmil-images/mine/6htv) | Crystal structure of Leuconostoc citreum NRRL B-1299 N-terminally truncated dextransucrase DSR-M in complex with isomaltotetraose | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | Authors: | Claverie, M, Cioci, G, Remaud-Simeon, M, Moulis, C, Lippens, G. | Deposit date: | 2018-10-04 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Futile Encounter Engineering of the DSR-M Dextransucrase Modifies the Resulting Polymer Length. Biochemistry, 58, 2019
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4JYP
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![BU of 4jyp by Molmil](/molmil-images/mine/4jyp) | crystal Structure of KAI2 Apo form | Descriptor: | Hydrolase, alpha/beta fold family protein | Authors: | Guo, Y, Zheng, Z, Noel, J.P. | Deposit date: | 2013-03-31 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Smoke-derived karrikin perception by the alpha/beta-hydrolase KAI2 from Arabidopsis. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JYM
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![BU of 4jym by Molmil](/molmil-images/mine/4jym) | crystal Structure of KAI2 in complex with 3-methyl-2H-furo[2,3-c]pyran-2-one | Descriptor: | 3-methyl-2H-furo[2,3-c]pyran-2-one, Hydrolase, alpha/beta fold family protein | Authors: | Guo, Y, Zheng, Z, Noel, J.P. | Deposit date: | 2013-03-30 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Smoke-derived karrikin perception by the alpha/beta-hydrolase KAI2 from Arabidopsis. Proc.Natl.Acad.Sci.USA, 110, 2013
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1FK2
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![BU of 1fk2 by Molmil](/molmil-images/mine/1fk2) | STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH MYRISTIC ACID REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY | Descriptor: | FORMIC ACID, MYRISTIC ACID, NONSPECIFIC LIPID-TRANSFER PROTEIN | Authors: | Han, G.W, Lee, J.Y, Song, H.K, Shin, D.H, Suh, S.W. | Deposit date: | 2000-08-09 | Release date: | 2001-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of non-specific lipid binding in maize lipid-transfer protein complexes revealed by high-resolution X-ray crystallography. J.Mol.Biol., 308, 2001
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