2QJ0
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2QIZ
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7Q8T
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![BU of 7q8t by Molmil](/molmil-images/mine/7q8t) | Crystal structure of NAMPT bound to ligand TSY535(compound 9a) | Descriptor: | Nicotinamide phosphoribosyltransferase, SULFATE ION, [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-11 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators. Acta Pharm Sin B, 13, 2023
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7T5S
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![BU of 7t5s by Molmil](/molmil-images/mine/7t5s) | P. aeruginosa LpxA in complex with ligand H16 | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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7T5R
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![BU of 7t5r by Molmil](/molmil-images/mine/7t5r) | P. aeruginosa LpxA in complex with ligand H7 | Descriptor: | 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]-1H-indole-5-carboxamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis. Acs Infect Dis., 8, 2022
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8AZA
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![BU of 8aza by Molmil](/molmil-images/mine/8aza) | Structure of RIP2K dimer bound to the XIAP BIR2 domain | Descriptor: | E3 ubiquitin-protein ligase XIAP, Receptor-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Pellegrini, E, Cusack, S. | Deposit date: | 2022-09-05 | Release date: | 2022-10-26 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structure shows that the BIR2 domain of E3 ligase XIAP binds across the RIPK2 kinase dimer interface. Life Sci Alliance, 6, 2023
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6PUS
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![BU of 6pus by Molmil](/molmil-images/mine/6pus) | Human TRPM2 bound to ADPR and calcium | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2 | Authors: | Du, J, Lu, W, Huang, Y. | Deposit date: | 2019-07-18 | Release date: | 2019-09-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel. Elife, 8, 2019
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6PUR
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![BU of 6pur by Molmil](/molmil-images/mine/6pur) | Human TRPM2 bound to ADPR | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2 | Authors: | Du, J, Lu, W, Huang, Y. | Deposit date: | 2019-07-18 | Release date: | 2019-09-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel. Elife, 8, 2019
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1H9M
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![BU of 1h9m by Molmil](/molmil-images/mine/1h9m) | Two crystal structures of the cytoplasmic molybdate-binding protein ModG suggest a novel cooperative binding mechanism and provide insights into ligand-binding specificity. PEG-grown form with molybdate bound | Descriptor: | MOLYBDATE ION, MOLYBDENUM-BINDING-PROTEIN | Authors: | Delarbre, L, Stevenson, C.E.M, White, D.J, Mitchenall, L.A, Pau, R.N, Lawson, D.M. | Deposit date: | 2001-03-13 | Release date: | 2001-05-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest a Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity J.Mol.Biol., 308, 2001
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6PUO
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![BU of 6puo by Molmil](/molmil-images/mine/6puo) | Human TRPM2 in the apo state | Descriptor: | Transient receptor potential cation channel subfamily M member 2 | Authors: | Du, J, Lu, W, Huang, Y. | Deposit date: | 2019-07-18 | Release date: | 2019-09-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel. Elife, 8, 2019
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1NVD
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![BU of 1nvd by Molmil](/molmil-images/mine/1nvd) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and carbaphosphonate | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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1NR5
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![BU of 1nr5 by Molmil](/molmil-images/mine/1nr5) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, NAD and carbaphosphonate | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-01-23 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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1H9J
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![BU of 1h9j by Molmil](/molmil-images/mine/1h9j) | Two crystal structures of the cytoplasmic molybdate-binding protein ModG suggest a novel cooperative binding mechanism and provide insights into ligand-binding specificity. Phosphate-grown form with molybdate and phosphate bound | Descriptor: | MOLYBDATE ION, MOLYBDENUM-BINDING-PROTEIN, PHOSPHATE ION | Authors: | Delarbre, L, Stevenson, C.E.M, White, D.J, Mitchenall, L.A, Pau, R.N, Lawson, D.M. | Deposit date: | 2001-03-13 | Release date: | 2001-05-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest a Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity J.Mol.Biol., 308, 2001
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1H9K
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![BU of 1h9k by Molmil](/molmil-images/mine/1h9k) | Two crystal structures of the cytoplasmic molybdate-binding protein ModG suggest a novel cooperative binding mechanism and provide insights into ligand-binding specificity. Phosphate-grown form with tungstate and phosphate bound | Descriptor: | MOLYBDENUM-BINDING-PROTEIN, PHOSPHATE ION, TUNGSTATE(VI)ION | Authors: | Delarbre, L, Stevenson, C.E.M, White, D.J, Mitchenall, L.A, Pau, R.N, Lawson, D.M. | Deposit date: | 2001-03-13 | Release date: | 2001-05-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest a Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity J.Mol.Biol., 308, 2001
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1Q3P
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![BU of 1q3p by Molmil](/molmil-images/mine/1q3p) | Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization | Descriptor: | C-terminal hexapeptide from Guanylate kinase-associated protein, Shank1 | Authors: | Im, Y.J, Lee, J.H, Park, S.H, Park, S.J, Rho, S.-H, Kang, G.B, Kim, E, Eom, S.H. | Deposit date: | 2003-07-31 | Release date: | 2004-01-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization J.Biol.Chem., 278, 2003
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7AT1
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![BU of 7at1 by Molmil](/molmil-images/mine/7at1) | CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN, ... | Authors: | Gouaux, J.E, Stevens, R.C, Lipscomb, W.N. | Deposit date: | 1989-09-22 | Release date: | 1990-10-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of aspartate carbamoyltransferase ligated with phosphonoacetamide, malonate, and CTP or ATP at 2.8-A resolution and neutral pH. Biochemistry, 29, 1990
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4EGQ
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1XAP
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![BU of 1xap by Molmil](/molmil-images/mine/1xap) | Structure of the ligand binding domain of the Retinoic Acid Receptor beta | Descriptor: | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Retinoic acid receptor beta | Authors: | Germain, P, Kammerer, S, Peluso-Iltis, C, Tortolani, D, Zusi, F.C, Starrett, J, Lapointe, P, Daris, J.P, Marinier, A, De Lera, A.R, Rochel, N, Gronemeyer, H. | Deposit date: | 2004-08-26 | Release date: | 2004-11-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational design of RAR-selective ligands revealed by RARbeta crystal structure Embo Rep., 5, 2004
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1VGA
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![BU of 1vga by Molmil](/molmil-images/mine/1vga) | Structures of unligated and inhibitor complexes of W168F mutant of Triosephosphate Isomerase from Plasmodium falciparum | Descriptor: | Triosephosphate isomerase | Authors: | Eaazhisai, K, Balaram, H, Balaram, P, Murthy, M.R.N. | Deposit date: | 2004-04-23 | Release date: | 2004-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Unliganded and Inhibitor Complexes of W168F, a Loop6 Hinge Mutant of Plasmodium falciparum Triosephosphate Isomerase: Observation of an Intermediate Position of Loop6 J.Mol.Biol., 343, 2004
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6NWL
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![BU of 6nwl by Molmil](/molmil-images/mine/6nwl) | Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with hydrocortisone and PGC1a coregulator fragment | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Liu, X, Ortlund, E.A. | Deposit date: | 2019-02-06 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids. Mol.Pharmacol., 96, 2019
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8K5O
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![BU of 8k5o by Molmil](/molmil-images/mine/8k5o) | Cryo-EM structure of the RC-LH core comples from Halorhodospira halochloris | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-O-octyl-beta-D-glucopyranose, ... | Authors: | Wang, G.-L, Qi, C.-H, Yu, L.-J. | Deposit date: | 2023-07-22 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris. J Integr Plant Biol, 2024
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4ZZC
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![BU of 4zzc by Molmil](/molmil-images/mine/4zzc) | The GLIC pentameric Ligand-Gated Ion Channel open form complexed to xenon | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sauguet, L, Fourati, Z, Prange, T, Delarue, M, Colloc'h, N. | Deposit date: | 2015-05-22 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel. Plos One, 11, 2016
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3BP5
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![BU of 3bp5 by Molmil](/molmil-images/mine/3bp5) | Crystal structure of the mouse PD-1 and PD-L2 complex | Descriptor: | GLYCEROL, Programmed cell death 1 ligand 2, Programmed cell death protein 1 | Authors: | Yan, Q, Lazar-Molnar, E, Cao, E, Ramagopal, U.A, Toro, R, Nathenson, S.G, Almo, S.C. | Deposit date: | 2007-12-18 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the complex between programmed death-1 (PD-1) and its ligand PD-L2. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1NVE
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![BU of 1nve by Molmil](/molmil-images/mine/1nve) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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3BQD
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![BU of 3bqd by Molmil](/molmil-images/mine/3bqd) | Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol | Descriptor: | 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone, Glucocorticoid receptor, Nuclear receptor coactivator 1 | Authors: | Xu, H.E. | Deposit date: | 2007-12-20 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol. Mol.Cell.Biol., 28, 2008
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