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5JQF
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BU of 5jqf by Molmil
Crystal structure of the lasso peptide Sphingopyxin I (SpI)
Descriptor: Sphingopyxin I
Authors:Fage, C.D, Hegemann, J.D, Harms, K, Bange, G, Marahiel, M.A.
Deposit date:2016-05-04
Release date:2016-09-14
Last modified:2021-06-16
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew. Chem. Int. Ed. Engl., 55, 2016
8OJ5
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BU of 8oj5 by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (in-vitro reconstitution)
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Penchev, I, DaRosa, P.A, Peter, J.J, Kulathu, Y, Becker, T, Beckmann, R, Kopito, R.
Deposit date:2023-03-23
Release date:2024-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
8OHD
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BU of 8ohd by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (native)
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
Deposit date:2023-03-21
Release date:2024-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
8OJ8
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BU of 8oj8 by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 1 (native)
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
Deposit date:2023-03-24
Release date:2024-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
8OJ0
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BU of 8oj0 by Molmil
60S ribosomal subunit bound to the E3-UFM1 complex - state 2 (native)
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
Deposit date:2023-03-23
Release date:2024-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
9EXX
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BU of 9exx by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 18.
Descriptor: 1,2-ETHANEDIOL, 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide, ETHANOL, ...
Authors:Collie, G.W.
Deposit date:2024-04-09
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
8XAU
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BU of 8xau by Molmil
Cryo-EM structure of HerA
Descriptor: ATP-binding protein
Authors:Wang, Y, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 2024
8XAY
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BU of 8xay by Molmil
Cryo-EM structure of an anti-phage defense complex bound to ATPrS and DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding protein, DUF4297, ...
Authors:An, Q, Deng, Z.
Deposit date:2023-12-05
Release date:2024-06-05
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 2024
1Y93
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BU of 1y93 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
Deposit date:2004-12-14
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure
Proc.Natl.Acad.Sci.Usa, 102, 2005
5K2E
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BU of 5k2e by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED
Descriptor: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
2PIY
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BU of 2piy by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (S)-2-(3-Aminomethyl-phenyl)-3-{hydroxy-[(R)-2-methyl-1-(3-phenyl-propane-1-sulfonylamino)-propyl]-phosphinoyl}-propionic acid {ZK 528} COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ4
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BU of 2pj4 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-Benzyloxycarbonylamino-cyclohexyl-methyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
Descriptor: (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PBL
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BU of 2pbl by Molmil
Crystal structure of a putative thioesterase (tm1040_2492) from silicibacter sp. tm1040 at 1.79 A resolution
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-03-28
Release date:2007-04-17
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of putative thioesterase (YP_614486.1) from Silicibacter sp. TM1040 at 1.79 A resolution
To be published
2PJ2
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BU of 2pj2 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-[((R)-1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyl]-propionic acid COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ9
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BU of 2pj9 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2POQ
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BU of 2poq by Molmil
Dimeric Dihydrodiol Dehydrogenase complexed with inhibitor, Isoascorbic acid
Descriptor: BETA-MERCAPTOETHANOL, Dimeric dihydrodiol dehydrogenase, ISOASCORBIC ACID, ...
Authors:Carbone, V, El-Kabbani, O.
Deposit date:2007-04-27
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of monkey dimeric dihydrodiol dehydrogenase in complex with isoascorbic acid.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ1
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BU of 2pj1 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-Aminomethyl-phenyl)-[((R)-1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyloxy]-acetic acid COMPLEX
Descriptor: (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
4KKX
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BU of 4kkx by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium with 2-aminophenol quinonoid in the beta site and the F6 inhibitor in the alpha site
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2013-05-06
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
1YCM
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BU of 1ycm by Molmil
Solution Structure of matrix metalloproteinase 12 (MMP12) in the presence of N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P, Structural Proteomics in Europe (SPINE)
Deposit date:2004-12-22
Release date:2005-04-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A31
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BU of 2a31 by Molmil
Trypsin in complex with borate
Descriptor: BORATE ION, CALCIUM ION, GUANIDINE-3-PROPANOL, ...
Authors:Transue, T.R, Gabel, S.A, London, R.E.
Deposit date:2005-06-23
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
3CDN
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BU of 3cdn by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera soaked at pH 4.0
Descriptor: CHLORIDE ION, GLYCEROL, Pheromone-binding protein ASP1
Authors:Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2008-02-27
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
4NY5
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BU of 4ny5 by Molmil
X-ray structure of the adduct formed between hen egg white lysozyme and NAMI-A
Descriptor: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
Authors:Messori, L, Merlino, A.
Deposit date:2013-12-10
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ruthenium metalation of proteins: the X-ray structure of the complex formed between NAMI-A and hen egg white lysozyme.
Dalton Trans, 43, 2014
2AJB
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BU of 2ajb by Molmil
Porcine dipeptidyl peptidase IV (CD26) in complex with the tripeptide tert-butyl-Gly-L-Pro-L-Ile (tBu-GPI)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-methyl-L-valyl-L-prolyl-L-isoleucine, ...
Authors:Engel, M, Hoffmann, T, Manhart, S, Heiser, U, Chambre, S, Huber, R, Demuth, H.U, Bode, W.
Deposit date:2005-08-01
Release date:2006-02-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV.
J.Mol.Biol., 355, 2006
2R0G
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BU of 2r0g by Molmil
Chromopyrrolic acid-soaked RebC with bound 7-carboxy-K252c
Descriptor: 7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, FLAVIN-ADENINE DINUCLEOTIDE, RebC
Authors:Ryan, K.S, Drennan, C.L.
Deposit date:2007-08-19
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystallographic trapping in the rebeccamycin biosynthetic enzyme RebC
Proc.Natl.Acad.Sci.Usa, 104, 2007
2J9H
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BU of 2j9h by Molmil
Crystal structure of human glutathione-S-transferase P1-1 cys-free mutant in complex with S-hexylglutathione at 2.4 A resolution
Descriptor: GLUTATHIONE S-TRANSFERASE P, S-HEXYLGLUTATHIONE
Authors:Tars, K, Hegazy, U.M, Hellman, U, Mannervik, B.
Deposit date:2006-11-08
Release date:2006-11-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Modulating Catalytic Activity by Unnatural Amino Acid Residues in a Gsh-Binding Loop of Gst P1-1.
J.Mol.Biol., 376, 2008

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