2ARY
 
 | | Catalytic domain of Human Calpain-1 | | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, Calpain-1 catalytic subunit | | Authors: | Walker, J.R, Davis, T, Lunin, V, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-22 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 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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2ALG
 | | Crystal structure of peach Pru p3, the prototypic member of the family of plant non-specific lipid transfer protein pan-allergens | | Descriptor: | HEPTANE, HEXAETHYLENE GLYCOL, LAURIC ACID, ... | | Authors: | Pasquato, N, Berni, R, Folli, C, Folloni, S, Cianci, M, Pantano, S, Helliwell, J, Zanotti, G. | | Deposit date: | 2005-08-05 | | Release date: | 2005-11-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Peach Pru p 3, the Prototypic Member of the Family of Plant Non-specific Lipid Transfer Protein Pan-allergens
J.Mol.Biol., 356, 2006
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2AMQ
 | | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | Deposit date: | 2005-08-10 | | Release date: | 2005-09-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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2ATK
 | | Structure of a mutant KcsA K+ channel | | Descriptor: | ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, NONAN-1-OL, ... | | Authors: | Cordero-Morales, J.F, Cuello, L.G, Zhao, Y, Jogini, V, Chakrapani, S, Roux, B, Perozo, E. | | Deposit date: | 2005-08-25 | | Release date: | 2006-03-07 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular determinants of gating at the potassium-channel selectivity filter.
Nat.Struct.Mol.Biol., 13, 2006
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6X3U
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus flumazenil | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-09 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
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2AN6
 | | Protein-peptide complex | | Descriptor: | Ubiquitin ligase SIAH1A, ZINC ION, peptide from Phyllopod | | Authors: | House, C.M, Hancock, N.C, Moller, A, Cromer, B.A, Fedorov, V, Bowtell, D.D.L, Parker, M.W, Polekhina, G. | | Deposit date: | 2005-08-11 | | Release date: | 2006-05-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Elucidation of the substrate binding site of Siah ubiquitin ligase
Structure, 14, 2006
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8SR4
 | | particulate methane monooxygeanse treated with potassium cyanide and copper reloaded | | Descriptor: | Ammonia monooxygenase/methane monooxygenase, subunit C family protein, COPPER (II) ION, ... | | Authors: | Tucci, F.J, Jodts, R.J, Rosenzweig, A.C. | | Deposit date: | 2023-05-05 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Product analog binding identifies the copper active site of particulate methane monooxygenase.
Nat Catal, 6, 2023
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8T1R
 | | Crystal structure of human CPSF73 catalytic segment in complex with compound 2 | | Descriptor: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... | | Authors: | Huang, J, Tong, L. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
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2AUZ
 | | Cathepsin K complexed with a semicarbazone inhibitor | | Descriptor: | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K, SULFATE ION | | Authors: | Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M. | | Deposit date: | 2005-08-29 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
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2AO5
 | | Crystal structure of an RNA duplex r(GGCGBrUGCGCU)2 with terminal and internal tandem G-U base pairs | | Descriptor: | 5'-R(*GP*GP*CP*GP*(5BU)P*GP*CP*GP*CP*U)-3', MAGNESIUM ION | | Authors: | Utsunomiya, R, Suto, K, Balasundaresan, D, Fukamizu, A, Kumar, P.K, Mizuno, H. | | Deposit date: | 2005-08-12 | | Release date: | 2006-03-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of an RNA duplex r(GGCGBrUGCGCU)2 with terminal and internal tandem G.U base pairs.
Acta Crystallogr.,Sect.D, 62, 2006
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2AOD
 | | Crystal structure analysis of HIV-1 protease with a substrate analog P2-NC | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, HIV-1 PROTEASE, ... | | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-12 | | Release date: | 2006-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
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8T1Q
 | | Crystal structure of human CPSF73 catalytic segment in complex with compound 1 | | Descriptor: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ... | | Authors: | Huang, J, Tong, L. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
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8SQW
 | | particulate methane monooxygenase crosslinked with 2,2,2-trifluoroethanol bound | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | | Authors: | Tucci, F.J, Rosenzweig, A.C. | | Deposit date: | 2023-05-04 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (2.16 Å) | | Cite: | Product analog binding identifies the copper active site of particulate methane monooxygenase.
Nat Catal, 6, 2023
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2AOW
 | | Histamine Methyltransferase (Natural Variant I105) Complexed with the Acetylcholinesterase Inhibitor and Altzheimer's Disease Drug Tacrine | | Descriptor: | Histamine N-methyltransferase, TACRINE | | Authors: | Horton, J.R, Sawada, K, Nishibori, M, Cheng, X. | | Deposit date: | 2005-08-14 | | Release date: | 2005-09-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
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8SR2
 | | particulate methane monooxygenase incubated with 4,4,4-trifluorobutanol | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | | Authors: | Tucci, F.J, Rosenzweig, A.C. | | Deposit date: | 2023-05-05 | | Release date: | 2023-11-15 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.36 Å) | | Cite: | Product analogue binding identifies the copper active site of particulate methane monooyxgenase
Nat Catal, 2023
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2AWV
 | | NMR Structural Analysis of the dimer of 5MCCTCATCC | | Descriptor: | 5'-D(*(MCY)P*CP*TP*CP*AP*CP*TP*CP*C)-3' | | Authors: | Canalia, M, Leroy, J.-L. | | Deposit date: | 2005-09-02 | | Release date: | 2005-09-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure, internal motions and association-dissociation kinetics of the i-motif dimer of d(5mCCTCACTCC).
Nucleic Acids Res., 33, 2005
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8SR1
 | | particulate methane monooxygenase crosslinked with 4,4,4-trifluorobutanol bound | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, 4,4,4-trifluorobutan-1-ol, ... | | Authors: | Tucci, F.J, Rosenzweig, A.C. | | Deposit date: | 2023-05-05 | | Release date: | 2023-11-15 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (2.18 Å) | | Cite: | Product analog binding identifies the copper active site of particulate methane monooxygenase.
Nat Catal, 6, 2023
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8SMD
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | Deposit date: | 2023-04-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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2ATH
 | | Crystal structure of the ligand binding domain of human PPAR-gamma im complex with an agonist | | Descriptor: | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID, Peroxisome proliferator activated receptor gamma | | Authors: | Mahindroo, N, Huang, C.-F, Wu, S.-Y, Hsieh, H.-P. | | Deposit date: | 2005-08-25 | | Release date: | 2006-08-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Novel indole-based peroxisome proliferator-activated receptor agonists: design, SAR, structural biology, and biological activities
J.Med.Chem., 48, 2005
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2ATV
 | | The crystal structure of human RERG in the GDP bound state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-like estrogen-regulated growth inhibitor | | Authors: | Turnbull, A.P, Salah, E, Schoch, G, Elkins, J, Burgess, N, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-26 | | Release date: | 2005-10-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of human RERG in the GDP bound state
To be Published
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2AUO
 | | Residue F4 plays a key role in modulating the oxygen affinity and cooperatrivity in Scapharca dimeric hemoglobin | | Descriptor: | CARBON MONOXIDE, Globin I, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | | Deposit date: | 2005-08-28 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
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8SR5
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2MGM
 | | HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN | | Descriptor: | MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Quillin, M.L, Arduini, R.M, Phillips Jr, G.N. | | Deposit date: | 1993-05-10 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
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2B3Q
 | | Crystal structure of a well-folded variant of green fluorescent protein | | Descriptor: | MAGNESIUM ION, green fluorescent protein | | Authors: | Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S. | | Deposit date: | 2005-09-20 | | Release date: | 2005-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Engineering and characterization of a superfolder green fluorescent protein.
Nat.Biotechnol., 24, 2006
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2MGF
 | | HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Quillin, M.L, Arduini, R.M, Phillips Jr, G.N. | | Deposit date: | 1993-05-10 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
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