6TLI
 
 | | THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS) | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | | Authors: | English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E. | | Deposit date: | 1998-10-29 | | Release date: | 2000-03-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol.
Proteins, 37, 1999
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3NID
 | | The Closed Headpiece of Integrin alphaIIB beta3 and its Complex with an alpahIIB beta3 -Specific Antagonist That Does Not Induce Opening | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhu, J.H, Zhu, J.Q, Springer, T.A. | | Deposit date: | 2010-06-15 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Closed headpiece of integrin {alpha}IIb{beta}3 and its complex with an {alpha}IIb{beta}3-specific antagonist that does not induce opening.
Blood, 116, 2010
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2B8Z
 | | Crystal structure of the interleukin-4 variant R85A | | Descriptor: | Interleukin-4, SULFATE ION | | Authors: | Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D. | | Deposit date: | 2005-10-10 | | Release date: | 2006-05-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
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6TM5
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7FAR
 | | Crystal structure of PDE5A in complex with inhibitor L12 | | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.40006471 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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4KJV
 | | Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | | Descriptor: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2013-05-03 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
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7FAQ
 | | Crystal structure of PDE5A in complex with inhibitor L1 | | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2021-07-07 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.200136 Å) | | Cite: | Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
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1OK8
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5H8N
 | | Structure of the human GluN1/GluN2A LBD in complex with NAM | | Descriptor: | 4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{N}-(pyridin-3-ylmethyl)benzamide, CALCIUM ION, GLUTAMIC ACID, ... | | Authors: | Wallweber, H.J.A, Lupardus, P.J. | | Deposit date: | 2015-12-23 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
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7MLU
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7MLV
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7MLY
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2VDN
 | | Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist Eptifibatide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EPTIFIBATIDE, ... | | Authors: | Springer, T.A, Zhu, J, Xiao, T. | | Deposit date: | 2007-10-10 | | Release date: | 2008-09-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3.
J.Cell Biol., 182, 2008
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1A48
 | | SAICAR SYNTHASE | | Descriptor: | PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE, SULFATE ION | | Authors: | Levdikov, V.M, Melik-Adamyan, W.R, Lamzin, V.S, Wilson, K.S. | | Deposit date: | 1998-02-12 | | Release date: | 1999-03-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of SAICAR synthase: an enzyme in the de novo pathway of purine nucleotide biosynthesis.
Structure, 6, 1998
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5HT1
 | | Structure of apo C. glabrata FKBP12 | | Descriptor: | FK506-binding protein 1 | | Authors: | Schumacher, M.A. | | Deposit date: | 2016-01-26 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
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6CNA
 | | GluN1-GluN2B NMDA receptors with exon 5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | | Authors: | Furukawa, H, Grant, T, Grigorieff, N. | | Deposit date: | 2018-03-07 | | Release date: | 2018-10-03 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural Mechanism of Functional Modulation by Gene Splicing in NMDA Receptors.
Neuron, 98, 2018
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4HDS
 | | Crystal Structure of ArsAB in Complex with Phenol. | | Descriptor: | 1,2-ETHANEDIOL, ArsA, ArsB, ... | | Authors: | Newmister, S.A, Chan, C.H, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2012-10-02 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Function of the Nicotinate Mononucleotide:phenol/p-cresol Phosphoribosyltransferase (ArsAB) Enzyme from Sporomusa ovata.
Biochemistry, 51, 2012
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3DOZ
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3k | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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2X10
 | | Crystal structure of the complete EphA2 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EPHRIN TYPE-A RECEPTOR 2 | | Authors: | Seiradake, E, Harlos, K, Sutton, G, Aricescu, A.R, Jones, E.Y. | | Deposit date: | 2009-12-21 | | Release date: | 2010-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | An Extracellular Steric Seeding Mechanism for Eph-Ephrin Signalling Platform Assembly
Nat.Struct.Mol.Biol., 17, 2010
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3OZU
 | | The Crystal Structure of flavohemoglobin from R. eutrophus in complex with miconazole | | Descriptor: | 1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoprotein, ... | | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Ermler, U, Baciou, L. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Ralstonia eutropha Flavohemoglobin in Complex with Three Antibiotic Azole Compounds.
Biochemistry, 50, 2011
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6TL3
 | | Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by a Pyrrolidone1 derivative | | Descriptor: | 14-3-3 protein sigma, 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid, Estrogen receptor | | Authors: | Andrei, S.A, Bosica, F, Ottmann, C, O'Mahony, G. | | Deposit date: | 2019-11-30 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.455 Å) | | Cite: | Design of Drug-Like Protein-Protein Interaction Stabilizers Guided By Chelation-Controlled Bioactive Conformation Stabilization.
Chemistry, 26, 2020
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8D7U
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4ZV1
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4ZV2
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7W3E
 | | Bovine cytochrome c oxidese in CN-bound fully reduced state at 50 K | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimada, A. | | Deposit date: | 2021-11-25 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
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