1CDY
 
 | | STRUCTURE OF T-CELL SURFACE GLYCOPROTEIN CD4 MUTANT WITH GLY 47 REPLACED BY SER | | Descriptor: | T-CELL SURFACE GLYCOPROTEIN CD4 | | Authors: | Wu, H, Myszka, D, Tendian, S.W, Brouillette, C.G, Sweet, R.W, Chaiken, I.M, Hendrickson, W.A. | | Deposit date: | 1996-11-11 | | Release date: | 1997-04-01 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural analysis of mutant CD4 receptors that are defective in HIV gp120 binding.
Proc.Natl.Acad.Sci.USA, 93, 1996
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6IC5
 | | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2 | | Descriptor: | (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | Deposit date: | 2018-12-02 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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8SPB
 | | Caspase-4/Pro-IL-18 complex | | Descriptor: | Caspase-4 subunit p10, Caspase-4 subunit p20, Interleukin-18 | | Authors: | Pascal, D, Dong, Y, Wu, H, Jon, K. | | Deposit date: | 2023-05-02 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into cytokine cleavage by inflammatory caspase-4.
Nature, 624, 2023
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5O25
 | | Structure of wildtype T.maritima PDE (TM1595) in ligand-free state | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | | Authors: | Witte, G, Drexler, D, Mueller, M. | | Deposit date: | 2017-05-19 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima.
Structure, 25, 2017
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5OEI
 | | R. palustris Rpa4515 with oxoadipate | | Descriptor: | 2-OXOADIPIC ACID, GLYCEROL, SULFATE ION, ... | | Authors: | Rosa, L, Rafferty, J, Kelly, D, Dix, S.R. | | Deposit date: | 2017-07-07 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural basis for high-affinity adipate binding to AdpC (RPA4515), an orphan periplasmic-binding protein from the tripartite tricarboxylate transporter (TTT) family in Rhodopseudomonas palustris.
FEBS J., 284, 2017
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5O4Z
 | | Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with substrate 5'-pApA | | Descriptor: | ADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, DHH/DHHA1-type phosphodiesterase TM1595, ... | | Authors: | Witte, G, Drexler, D, Mueller, M. | | Deposit date: | 2017-05-31 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Biophysical Analysis of the Soluble DHH/DHHA1-Type Phosphodiesterase TM1595 from Thermotoga maritima.
Structure, 25, 2017
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5OA6
 | | Crystal structure of ScGas2 in complex with compound 12 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | | Deposit date: | 2017-06-21 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
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1BL4
 | | FKBP MUTANT F36V COMPLEXED WITH REMODELED SYNTHETIC LIGAND | | Descriptor: | PROTEIN (FK506 BINDING PROTEIN), {3-[3-(3,4-DIMETHOXY-PHENYL)-1-(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-PROPYL]-PHENOXY}-ACETIC ACID | | Authors: | Hatada, M.H, Clackson, T, Yang, W, Rozamus, L.W, Amara, J, Rollins, C.T, Stevenson, L.F, Magari, S.R, Wood, S.A, Courage, N.L, Lu, X, Cerasoli Junior, F, Gilman, M, Holt, D. | | Deposit date: | 1998-07-23 | | Release date: | 1998-09-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity.
Proc.Natl.Acad.Sci.USA, 95, 1998
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5O2C
 | | Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine/threonine-protein kinase WNK3 | | Authors: | Bartual, S.G, Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-05-19 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
To Be Published
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5O23
 | | Crystal structure of WNK3 kinase domain in a monophosphorylated apo state | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Serine/threonine-protein kinase WNK3 | | Authors: | Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Sethi, R, Newman, J.A, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-05-19 | | Release date: | 2017-06-28 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of WNK3 kinase domain in a monophosphorylated apo state
To Be Published
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1ROW
 | | Structure of SSP-19, an MSP-domain protein like family member in Caenorhabditis elegans | | Descriptor: | MSP-domain protein like family member | | Authors: | Schormann, N, Symersky, J, Carson, M, Luo, M, Lin, G, Li, S, Qiu, S, Arabashi, A, Bunzel, B, Luo, D, Nagy, L, Gray, R, Luan, C.-H, Zhang, J, Lu, S, DeLucas, L, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2003-12-02 | | Release date: | 2003-12-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of sperm-specific protein SSP-19 from Caenorhabditis elegans.
Acta Crystallogr.,Sect.D, 60, 2004
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1RLA
 | | THREE-DIMENSIONAL STRUCTURE OF RAT LIVER ARGINASE, THE BINUCLEAR MANGANESE METALLOENZYME OF THE UREA CYCLE | | Descriptor: | ARGINASE, MANGANESE (II) ION | | Authors: | Kanyo, Z, Scolnick, L, Ash, D, Christianson, D.W. | | Deposit date: | 1996-08-15 | | Release date: | 1997-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of a unique binuclear manganese cluster in arginase.
Nature, 383, 1996
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7EHZ
 | | Structure of human NNMT in complex with macrocyclic peptide 2 | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide 2 | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-30 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
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7EGU
 | | Structure of human NNMT in complex with macrocyclic peptide X | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide X | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-26 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
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1DCI
 | | DIENOYL-COA ISOMERASE | | Descriptor: | 1,2-ETHANEDIOL, DIENOYL-COA ISOMERASE, MAGNESIUM ION, ... | | Authors: | Modis, Y, Filppula, S.A, Novikov, D, Norledge, B, Hiltunen, J.K, Wierenga, R.K. | | Deposit date: | 1998-02-13 | | Release date: | 1999-03-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of dienoyl-CoA isomerase at 1.5 A resolution reveals the importance of aspartate and glutamate sidechains for catalysis.
Structure, 6, 1998
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1DMA
 | | DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH NICOTINAMIDE AND AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, EXOTOXIN A, NICOTINAMIDE | | Authors: | Li, M, Dyda, F, Benhar, I, Pastan, I, Davies, D. | | Deposit date: | 1995-04-28 | | Release date: | 1995-09-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin.
Proc.Natl.Acad.Sci.USA, 92, 1995
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7EI2
 | | Structure of human NNMT in complex with macrocyclic peptide 8 | | Descriptor: | Nicotinamide N-methyltransferase, macrocyclic peptide 8 | | Authors: | Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M. | | Deposit date: | 2021-03-30 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
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1BCG
 | | SCORPION TOXIN BJXTR-IT | | Descriptor: | TOXIN BJXTR-IT | | Authors: | Oren, D, Froy, O, Amit, E, Kleinberger-Doron, N, Gurevitz, M, Shaanan, B. | | Deposit date: | 1998-04-29 | | Release date: | 1998-11-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An excitatory scorpion toxin with a distinctive feature: an additional alpha helix at the C terminus and its implications for interaction with insect sodium channels.
Structure, 6, 1998
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1Q47
 | | Structure of the Semaphorin 3A Receptor-Binding Module | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Semaphorin 3A | | Authors: | Antipenko, A, Himanen, J.-P, van Leyen, K, Nardi-Dei, V, Lesniak, J, Barton, W.A, Rajashankar, K.R, Lu, M, Hoemme, C, Puschel, A, Nikolov, D. | | Deposit date: | 2003-08-01 | | Release date: | 2004-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the semaphorin-3A receptor binding module.
Neuron, 39, 2003
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1RRA
 | | RIBONUCLEASE A FROM RATTUS NORVEGICUS (COMMON RAT) | | Descriptor: | PHOSPHATE ION, PROTEIN (RIBONUCLEASE) | | Authors: | Gupta, V, Muyldermans, S, Wyns, L, Salunke, D. | | Deposit date: | 1998-12-04 | | Release date: | 1998-12-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of recombinant rat pancreatic RNase A.
Proteins, 35, 1999
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1CO7
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1SI2
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1CQQ
 | | TYPE 2 RHINOVIRUS 3C PROTEASE WITH AG7088 INHIBITOR | | Descriptor: | 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, TYPE 2 RHINOVIRUS 3C PROTEASE | | Authors: | Matthews, D, Ferre, R.A. | | Deposit date: | 1999-08-10 | | Release date: | 1999-09-20 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-assisted design of mechanism-based irreversible inhibitors of human rhinovirus 3C protease with potent antiviral activity against multiple rhinovirus serotypes.
Proc.Natl.Acad.Sci.USA, 96, 1999
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171L
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2M8U
 | | Solution structure of the Dictyostelium discodieum Myosin Light Chain, MlcC | | Descriptor: | Myosin Light Chain, MlcC | | Authors: | Liburd, J.D, Miller, E, Langelaan, D, Chitayat, S, Crawley, S.W, Cote, G.P, Smith, S.P. | | Deposit date: | 2013-05-28 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Single-lobe Myosin Light Chain C in Complex with the Light Chain-binding Domains of Myosin-1C Provides Insights into Divergent IQ Motif Recognition.
J.Biol.Chem., 291, 2016
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