4Z34
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![BU of 4z34 by Molmil](/molmil-images/mine/4z34) | Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Lysophosphatidic acid receptor 1, Soluble cytochrome b562, ... | Authors: | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | Deposit date: | 2015-03-30 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. Cell, 161, 2015
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4Z35
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![BU of 4z35 by Molmil](/molmil-images/mine/4z35) | Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562 | Authors: | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | Deposit date: | 2015-03-30 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. Cell, 161, 2015
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4Z36
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![BU of 4z36 by Molmil](/molmil-images/mine/4z36) | Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562 | Authors: | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | Deposit date: | 2015-03-30 | Release date: | 2015-06-03 | Last modified: | 2015-07-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. Cell, 161, 2015
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7TD0
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![BU of 7td0 by Molmil](/molmil-images/mine/7td0) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD2
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![BU of 7td2 by Molmil](/molmil-images/mine/7td2) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD3
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![BU of 7td3 by Molmil](/molmil-images/mine/7td3) | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD1
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![BU of 7td1 by Molmil](/molmil-images/mine/7td1) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD4
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![BU of 7td4 by Molmil](/molmil-images/mine/7td4) | Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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3NQW
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![BU of 3nqw by Molmil](/molmil-images/mine/3nqw) | A metazoan ortholog of SpoT hydrolyzes ppGpp and plays a role in starvation responses | Descriptor: | CG11900, MANGANESE (II) ION, SULFATE ION | Authors: | Sun, D.W, Kim, H.Y, Kim, K.J, Jeon, Y.H, Chung, J. | Deposit date: | 2010-06-30 | Release date: | 2010-09-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A metazoan ortholog of SpoT hydrolyzes ppGpp and functions in starvation responses Nat.Struct.Mol.Biol., 17, 2010
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1MFG
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![BU of 1mfg by Molmil](/molmil-images/mine/1mfg) | |
1MFL
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![BU of 1mfl by Molmil](/molmil-images/mine/1mfl) | |
1DGQ
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![BU of 1dgq by Molmil](/molmil-images/mine/1dgq) | NMR SOLUTION STRUCTURE OF THE INSERTED DOMAIN OF HUMAN LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1 | Descriptor: | LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1 | Authors: | Legge, G.B, Kriwacki, R.W, Chung, J, Hommel, U, Ramage, P, Case, D.A, Dyson, H.J, Wright, P.E. | Deposit date: | 1999-11-24 | Release date: | 2000-02-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the inserted domain of human leukocyte function associated antigen-1. J.Mol.Biol., 295, 2000
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1IE5
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![BU of 1ie5 by Molmil](/molmil-images/mine/1ie5) | NMR STRUCTURE OF THE THIRD IMMUNOGLOBULIN DOMAIN FROM THE NEURAL CELL ADHESION MOLECULE. | Descriptor: | NEURAL CELL ADHESION MOLECULE | Authors: | Atkins, A.R, Chung, J, Deechongkit, S, Little, E.B, Edelman, G.M, Wright, P.E, Cunningham, B.A, Dyson, H.J. | Deposit date: | 2001-04-06 | Release date: | 2001-08-08 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of the third immunoglobulin domain of the neural cell adhesion molecule N-CAM: can solution studies define the mechanism of homophilic binding? J.Mol.Biol., 311, 2001
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1KBH
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![BU of 1kbh by Molmil](/molmil-images/mine/1kbh) | Mutual Synergistic Folding in the Interaction Between Nuclear Receptor Coactivators CBP and ACTR | Descriptor: | CREB-BINDING PROTEIN, nuclear receptor coactivator | Authors: | Demarest, S.J, Martinez-Yamout, M, Chung, J, Chen, H, Xu, W, Dyson, H.J, Evans, R.M, Wright, P.E. | Deposit date: | 2001-11-06 | Release date: | 2002-02-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mutual synergistic folding in recruitment of CBP/p300 by p160 nuclear receptor coactivators. Nature, 415, 2002
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3NR1
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![BU of 3nr1 by Molmil](/molmil-images/mine/3nr1) | A metazoan ortholog of SpoT hydrolyzes ppGpp and plays a role in starvation responses | Descriptor: | HD domain-containing protein 3, MANGANESE (II) ION | Authors: | Sun, D.W, Kim, H.Y, Kim, K.J, Jeon, Y.H, Chung, J. | Deposit date: | 2010-06-30 | Release date: | 2010-09-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A metazoan ortholog of SpoT hydrolyzes ppGpp and functions in starvation responses Nat.Struct.Mol.Biol., 17, 2010
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3P2F
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![BU of 3p2f by Molmil](/molmil-images/mine/3p2f) | Crystal structure of TofI in an apo form | Descriptor: | AHL synthase | Authors: | Yu, S, Rhee, S. | Deposit date: | 2010-10-02 | Release date: | 2011-07-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase Proc.Natl.Acad.Sci.USA, 108, 2011
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3P2H
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![BU of 3p2h by Molmil](/molmil-images/mine/3p2h) | |
5HNM
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![BU of 5hnm by Molmil](/molmil-images/mine/5hnm) | Crystal structure of vancomycin resistance D,D-pentapeptidase VanY E175A mutant from VanB-type resistance cassette in complex with Zn(II) | Descriptor: | D-alanyl-D-alanine carboxypeptidase, SULFATE ION, ZINC ION | Authors: | Stogios, P.J, Chun, J, Wawrzak, Z, Evdokimova, E, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-18 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | To be published To Be Published
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5X6Q
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![BU of 5x6q by Molmil](/molmil-images/mine/5x6q) | Crystal structure of Pseudomonas fluorescens KMO in complex with Ro 61-8048 | Descriptor: | 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | Authors: | Kim, H.T, Hwang, K.Y. | Deposit date: | 2017-02-23 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase Cell Chem Biol, 25, 2018
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5X6R
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![BU of 5x6r by Molmil](/molmil-images/mine/5x6r) | |
8DD5
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![BU of 8dd5 by Molmil](/molmil-images/mine/8dd5) | Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | Descriptor: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | Authors: | Greasley, S.E, Johnson, E, Brodsky, O. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363 To Be Published
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8CX9
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![BU of 8cx9 by Molmil](/molmil-images/mine/8cx9) | Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | Descriptor: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | Authors: | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | Deposit date: | 2022-05-20 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site. Plos Pathog., 18, 2022
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7OLZ
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![BU of 7olz by Molmil](/molmil-images/mine/7olz) | Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and Re9F06 | Descriptor: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Nanobody Re5D06, Nanobody Re9F06, ... | Authors: | Aksu, M, Guttler, T, Gorlich, D. | Deposit date: | 2021-05-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies. Embo J., 40, 2021
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7ON5
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![BU of 7on5 by Molmil](/molmil-images/mine/7on5) | Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06 | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06 | Authors: | Aksu, M, Guttler, T, Gorlich, D. | Deposit date: | 2021-05-25 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies. Embo J., 40, 2021
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3K9X
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![BU of 3k9x by Molmil](/molmil-images/mine/3k9x) | X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | Descriptor: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | Authors: | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | Deposit date: | 2009-10-16 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577 Bioorg.Med.Chem.Lett., 19, 2009
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