5KCF
 
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative | | Descriptor: | (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-06 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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5KCT
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative | | Descriptor: | (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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5KEQ
 | | High resolution cryo-EM maps of Human papillomavirus 16 reveal L2 location and heparin-induced conformational changes | | Descriptor: | Major capsid protein L1 | | Authors: | Guan, J, Bywaters, S.M, Brendle, S.A, Ashley, R.E, Makhov, A.M, Conway, J.F, Christensen, N.D, Hafenstein, S. | | Deposit date: | 2016-06-10 | | Release date: | 2017-01-25 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryoelectron Microscopy Maps of Human Papillomavirus 16 Reveal L2 Densities and Heparin Binding Site.
Structure, 25, 2017
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6Z7C
 | | Variant Surface Glycoprotein VSGsur mutant H122A | | Descriptor: | Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2020-05-30 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
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6ZBV
 | | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | | Descriptor: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | | Deposit date: | 2020-06-09 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
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6Z7E
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1MEM
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6Z7D
 | | Variant Surface Glycoprotein VSGsur mutant H122A soaked in 0.77 mM Suramin. | | Descriptor: | Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2020-05-30 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
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6Z79
 | | Variant Surface Glycoprotein VSGsur, I3C ("Magic Triangle") derivative used for phasing of the structure and subsequently as a model for molecular replacement of native, mutants, and drug soaks. | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2020-05-30 | | Release date: | 2021-03-17 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
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1MQX
 | | NMR Solution Structure of Type-B Lantibiotics Mersacidin in MeOH/H2O Mixture | | Descriptor: | LANTIBIOTIC MERSACIDIN | | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | | Deposit date: | 2002-09-17 | | Release date: | 2003-03-11 | | Last modified: | 2024-07-10 | | Method: | SOLUTION NMR | | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
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1MWY
 | | Solution structure of the N-terminal domain of ZntA in the apo-form | | Descriptor: | ZntA | | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Finney, L.A, Outten, C.E, O'Halloran, T.V. | | Deposit date: | 2002-10-01 | | Release date: | 2002-11-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A new zinc-protein coordination site in intracellular metal trafficking: solution structure of the apo and Zn(II) forms of ZntA (46-118)
J.Mol.Biol., 323, 2002
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4UEY
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5KOC
 | | Pavine N-methyltransferase in complex with S-adenosylmethionine pH 7 | | Descriptor: | Pavine N-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Torres, M.A, Hoffarth, E, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | | Deposit date: | 2016-06-30 | | Release date: | 2016-09-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
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5KOK
 | | Pavine N-methyltransferase in complex with Tetrahydropapaverine and S-adenosylhomocysteine pH 7.25 | | Descriptor: | (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Pavine N-methyltransferase, ... | | Authors: | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | | Deposit date: | 2016-06-30 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
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1MWZ
 | | Solution structure of the N-terminal domain of ZntA in the Zn(II)-form | | Descriptor: | ZINC ION, ZntA | | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Finney, L.A, Outten, C.E, O'Halloran, T.V. | | Deposit date: | 2002-10-01 | | Release date: | 2002-11-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A new zinc-protein coordination site in intracellular metal trafficking: solution structure of the apo and Zn(II) forms of ZntA (46-118)
J.Mol.Biol., 323, 2002
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8DTA
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5KSV
 | | Crystal structure of HLA-DQ2.5-CLIP2 | | Descriptor: | HLA class II histocompatibility antigen gamma chain, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1 | | Authors: | Nguyen, T.B, Jayaraman, P, Bergseng, E, Madhusudhan, M.S, Kim, C.-Y, Sollid, L.M. | | Deposit date: | 2016-07-10 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Unraveling the structural basis for the unusually rich association of human leukocyte antigen DQ2.5 with class-II-associated invariant chain peptides.
J. Biol. Chem., 292, 2017
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1MW5
 | | Structure of HI1480 from Haemophilus influenzae | | Descriptor: | HYPOTHETICAL PROTEIN HI1480 | | Authors: | Lim, K, Sarikaya, E, Howard, A, Galkin, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2002-09-27 | | Release date: | 2003-11-18 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel structure and nucleotide binding properties of HI1480 from Haemophilus influenzae: a protein with no known sequence homologues
PROTEINS: STRUCT.,FUNCT.,GENET., 56, 2004
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1N2Y
 | | SOLUTION STRUCTURE OF SS-CYCLIZED CATESTATIN FRAGMENT FROM CHROMOGRANIN A | | Descriptor: | CATESTATIN | | Authors: | Preece, N.E, Nguyen, M, Mahata, M, Mahata, S.K, Mahapatra, N.R, Tsigelny, I, O'Connor, D.T. | | Deposit date: | 2002-10-24 | | Release date: | 2002-11-13 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Conformational preferences and activities of peptides from the catecholamine
release-inhibitory (catestatin) region of chromogranin A
Regul.Pept., 118, 2004
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8DPM
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8DPL
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5KTM
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5KTS
 | | Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound citraconate and Fe4S4 cluster | | Descriptor: | (~{Z})-2-methylbut-2-enedioic acid, AMMONIUM ION, CHLORIDE ION, ... | | Authors: | Fenwick, M.K, Ealick, S.E. | | Deposit date: | 2016-07-12 | | Release date: | 2016-07-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
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5KUA
 | | Cryo-EM reconstruction of Neisseria meningitidis Type IV pilus | | Descriptor: | pilin | | Authors: | Kolappan, S, Coureuil, M, Yu, X, Nassif, X, Craig, L, Egelman, E.H. | | Deposit date: | 2016-07-13 | | Release date: | 2016-10-12 | | Last modified: | 2016-11-30 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Structure of the Neisseria meningitidis Type IV pilus.
Nat Commun, 7, 2016
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5KWW
 | | Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ... | | Authors: | McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P. | | Deposit date: | 2016-07-19 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor.
Nat Commun, 8, 2017
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