4PIC
 
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6HN3
 | | wildtype form (apo) of human GPX4 with Se-Cys46 | | Descriptor: | CHLORIDE ION, ETHANOL, GLYCEROL, ... | | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, J, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S. | | Deposit date: | 2018-09-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Acta Crystallogr D Struct Biol, 77, 2021
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5E78
 | | Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep | | Descriptor: | 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ... | | Authors: | Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. | | Deposit date: | 2015-10-12 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase.
Biochim. Biophys. Acta, 1866, 2018
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5A8I
 | | Crystal structure of the FHA domain of ArnA from Sulfolobus acidocaldarius | | Descriptor: | ARNA, GLYCEROL, SULFATE ION | | Authors: | Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V. | | Deposit date: | 2015-07-16 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility
To be Published
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5A8J
 | | Crystal structure of the ArnB paralog VWA2 from Sulfolobus acidocaldarius | | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | | Authors: | Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V. | | Deposit date: | 2015-07-16 | | Release date: | 2016-06-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility
To be Published
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1RRP
 | | STRUCTURE OF THE RAN-GPPNHP-RANBD1 COMPLEX | | Descriptor: | MAGNESIUM ION, NUCLEAR PORE COMPLEX PROTEIN NUP358, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Vetter, I.R, Nowak, C, Nishimoto, T, Kuhlmann, J, Wittinghofer, A. | | Deposit date: | 1999-01-15 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Structure of a Ran-binding domain complexed with Ran bound to a GTP analogue: implications for nuclear transport.
Nature, 398, 1999
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3JW8
 | | Crystal structure of human mono-glyceride lipase | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, MGLL protein | | Authors: | Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M. | | Deposit date: | 2009-09-18 | | Release date: | 2010-01-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for human monoglyceride lipase inhibition.
J.Mol.Biol., 396, 2010
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6HIF
 | | Kuenenia stuttgartiensis hydrazine dehydrogenase complex | | Descriptor: | GLYCEROL, HEME C, Hydrazine dehydrogenase, ... | | Authors: | Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M. | | Deposit date: | 2018-08-29 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A 192-heme electron transfer network in the hydrazine dehydrogenase complex.
Sci Adv, 5, 2019
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6HLL
 | | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist CP-99,994 | | Descriptor: | (2~{S},3~{S})-~{N}-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine, Substance-P receptor,GlgA glycogen synthase,Substance-P receptor | | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
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6HLO
 | | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ... | | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
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6HLP
 | | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ... | | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | | Deposit date: | 2018-09-11 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
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1QDS
 | | SUPERSTABLE E65Q MUTANT OF LEISHMANIA MEXICANA TRIOSEPHOSPHATE ISOMERASE (TIM) | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Lambeir, A.M, Backmann, J, Ruiz-Sanz, J, Filimonov, V, Nielsen, J.E, Vriend, G, Kursula, I, Norledge, B.V, Wierenga, R.K. | | Deposit date: | 1999-07-10 | | Release date: | 2000-12-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The ionization of a buried glutamic acid is thermodynamically linked to the stability of Leishmania mexicana triose phosphate isomerase.
Eur.J.Biochem., 267, 2000
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1IEN
 | | SOLUTION STRUCTURE OF TIA | | Descriptor: | PROTEIN TIA | | Authors: | Sharpe, I.A, Gehrmann, J, Loughnan, M.L, Thomas, L, Adams, D.A, Atkins, A, Palant, E, Craik, D.J, Adams, D.J, Alewood, P.F, Lewis, R.J. | | Deposit date: | 2001-04-10 | | Release date: | 2002-04-03 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
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1IEO
 | | SOLUTION STRUCTURE OF MRIB-NH2 | | Descriptor: | PROTEIN MRIB-NH2 | | Authors: | Sharpe, I.A, Gehrmann, J, Loughnan, M.L, Thomas, L, Adams, D.A, Atkins, A, Palant, E, Craik, D.J, Adams, D.J, Alewood, P.F, Lewis, R.J. | | Deposit date: | 2001-04-10 | | Release date: | 2002-04-03 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
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1I2M
 | | RAN-RCC1-SO4 COMPLEX | | Descriptor: | GTP-BINDING NUCLEAR PROTEIN RAN, REGULATOR OF CHROMOSOME CONDENSATION 1, SULFATE ION | | Authors: | Renault, L, Kuhlmann, J, Henkel, A, Wittinghofer, A. | | Deposit date: | 2001-02-11 | | Release date: | 2001-05-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis for guanine nucleotide exchange on Ran by the regulator of chromosome condensation (RCC1).
Cell(Cambridge,Mass.), 105, 2001
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3SDG
 | | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | | Descriptor: | 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, HTH-type transcriptional regulator EthR | | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | | Deposit date: | 2011-06-09 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
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3SFI
 | | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | | Descriptor: | 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family) | | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | | Deposit date: | 2011-06-13 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012
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4IY9
 | | Bmlp3 - C2 crystal form | | Descriptor: | 30K protein 1, IODIDE ION | | Authors: | Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G. | | Deposit date: | 2013-01-28 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Two Crystal Structures of Bombyx mori Lipoprotein 3 - Structural Characterization of a New 30-kDa Lipoprotein Family Member.
Plos One, 8, 2013
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4L37
 | | SP2-SP3 - a complex of two storage proteins from Bombyx mori hemolymph | | Descriptor: | Arylphorin, SODIUM ION, SULFATE ION, ... | | Authors: | Pietrzyk, A.J, Bujacz, A, Mueller-Dieckmann, J, Jaskolski, M, Bujacz, G. | | Deposit date: | 2013-06-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystallographic identification of an unexpected protein complex in silkworm haemolymph.
Acta Crystallogr.,Sect.D, 69, 2013
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4FBM
 | | LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | | Descriptor: | BROMIDE ION, LipS lipolytic enzyme | | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovavic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2012-05-23 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases.
Plos One, 7, 2012
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4FBL
 | | LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families | | Descriptor: | CHLORIDE ION, LipS lipolytic enzyme, SPERMIDINE | | Authors: | Chow, J, Krauss, U, Dall Antonia, Y, Fersini, F, Schmeisser, C, Schmidt, M, Menyes, I, Bornscheuer, U, Lauinger, B, Bongen, P, Pietruszka, J, Eckstein, M, Thum, O, Liese, A, Mueller-Dieckmann, J, Jaeger, K.-E, Kovacic, F, Streit, W.R, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2012-05-23 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The Metagenome-Derived Enzymes LipS and LipT Increase the Diversity of Known Lipases.
Plos One, 7, 2012
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4MT8
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2OB2
 | | ppm1 in the absence of 1,8-ANS (cf 1JD) | | Descriptor: | GLYCEROL, Leucine carboxyl methyltransferase 1, PHOSPHATE ION, ... | | Authors: | Groves, M.R, Mueller, I.B, Kreplin, X, Mueller-Dieckmann, J. | | Deposit date: | 2006-12-18 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A method for the general identification of protein crystals in crystallization experiments using a noncovalent fluorescent dye.
Acta Crystallogr.,Sect.D, 63, 2007
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4MTX
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7P00
 | | Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex | | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | | Deposit date: | 2021-06-29 | | Release date: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features.
Sci Adv, 7, 2021
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