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6HOD
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BU of 6hod by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44848
Descriptor: 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6BIT
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BU of 6bit by Molmil
SIRPalpha antibody complex
Descriptor: KWAR23 Fab heavy chain, KWAR23 Fab light chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Ring, N.G, Herndler-Brandstetter, D, Weiskopf, K, Shan, L, Volkmer, J.P, George, B.M, Lietzenmayer, M, McKenna, K.M, Naik, T.J, McCarty, A, Zheng, Y, Ring, A.M, Flavell, R.A, Weissman, I.L.
Deposit date:2017-11-03
Release date:2017-12-06
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Anti-SIRP alpha antibody immunotherapy enhances neutrophil and macrophage antitumor activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KRC
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BU of 5krc by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone
Descriptor: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-07-07
Release date:2017-02-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6HY1
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BU of 6hy1 by Molmil
Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ...
Authors:Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I.
Deposit date:2018-10-19
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal
To Be Published
5IH2
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BU of 5ih2 by Molmil
Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal SH3 domain of CrkII and proline-rich motifs in cAbl
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Adapter molecule crk, DI(HYDROXYETHYL)ETHER, ...
Authors:Bhatt, V.S, Zeng, D, Krieger, I, Sacchettini, J.C, Cho, J.-H.
Deposit date:2016-02-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding Mechanism of the N-Terminal SH3 Domain of CrkII and Proline-Rich Motifs in cAbl.
Biophys.J., 110, 2016
3T2N
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BU of 3t2n by Molmil
Human hepsin protease in complex with the Fab fragment of an inhibitory antibody
Descriptor: Antibody, Fab fragment, Heavy Chain, ...
Authors:Koschubs, T, Dengl, S, Duerr, H, Kaluza, K, Georges, G, Hartl, C, Jennewein, S, Lanzendoerfer, M, Auer, J, Stern, A, Huang, K.-S, Kostrewa, D, Ries, S, Hansen, S, Kohnert, U, Cramer, P, Mundigl, O.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Allosteric antibody inhibition of human hepsin protease.
Biochem.J., 442, 2012
1ZRK
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BU of 1zrk by Molmil
Factor XI complexed with 3-hydroxypropyl 3-(7-amidinonaphthalene-1-carboxamido)benzenesulfonate
Descriptor: 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE, Coagulation factor XI, SULFATE ION
Authors:Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M.J, Bibbins, F, Magee, S, Gorga, J, Babine, R, Strickler, J.
Deposit date:2005-05-19
Release date:2006-05-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series
To be Published
6IZF
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BU of 6izf by Molmil
Structural basis for activity of TRIC counter-ion channels in calcium release
Descriptor: (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, X.H, Zeng, Y, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-19
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6AUQ
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BU of 6auq by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine
Descriptor: 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6AV4
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BU of 6av4 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.867 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
8IM6
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BU of 8im6 by Molmil
Crystal structure of HCoV 229E main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhou, Y.R, Zeng, P, Zhang, J, Li, J.
Deposit date:2023-03-06
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
6AZ3
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BU of 6az3 by Molmil
Cryo-EM structure of of the large subunit of Leishmania ribosome bound to paromomycin
Descriptor: 60S ribosomal protein L10, putative, 60S ribosomal protein L11 (L5, ...
Authors:Shalev-Benami, M, Zhang, Y, Rozenberg, H, Nobe, Y, Taoka, M, Matzov, D, Zimmerman, E, Bashan, A, Isobe, T, Jaffe, C.L, Yonath, A, Skiniotis, G.
Deposit date:2017-09-09
Release date:2017-12-06
Last modified:2022-04-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin.
Nat Commun, 8, 2017
7VSQ
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BU of 7vsq by Molmil
Crystal strcuture of the tandem B-Box domains of CONSTANS
Descriptor: ZINC ION, Zinc finger protein CONSTANS
Authors:Liu, R, Lv, X, Du, J.
Deposit date:2021-10-27
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
7VSP
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BU of 7vsp by Molmil
Crystal strcuture of the tandem B-Box domains of COL2
Descriptor: ZINC ION, Zinc finger protein CONSTANS-LIKE 2
Authors:Lv, X, Liu, R, Du, J.
Deposit date:2021-10-27
Release date:2022-03-02
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
6IYZ
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BU of 6iyz by Molmil
Structural basis for activity of TRIC counter-ion channels in calcium release
Descriptor: CHLORIDE ION, Trimeric intracellular cation channel type A
Authors:Wang, X.H, Zeng, Y, Qin, L, Gao, F, Su, M, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
1NJO
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BU of 1njo by Molmil
The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with a short substrate analog ACCPuromycin (ACCP)
Descriptor: 23S ribosomal RNA, RNA ACC(Puromycin)
Authors:Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A.
Deposit date:2003-01-02
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis of the ribosomal machinery for Peptide bond formation, translocation, and nascent chain progression
Mol.Cell, 11, 2003
5KRO
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BU of 5kro by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Methyl(phenyl)amino-substituted Estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(methyl(phenyl)amino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
Descriptor: (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-[methyl(phenyl)amino]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-07-07
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
2JAO
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BU of 2jao by Molmil
Crystal structure of D12N variant of mouse cytosolic 5'(3')- deoxyribonucleotidase (cdN) in complex with deoxyguanosine 5'- monophosphate
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, 5'(3')-DEOXYRIBONUCLEOTIDASE, GLYCEROL, ...
Authors:Wallden, K, Ruzzenente, B, Bianchi, V, Nordlund, P.
Deposit date:2006-11-29
Release date:2007-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Human and Murine Deoxyribonucleotidases: Insights Into Recognition of Substrates and Nucleotide Analogues.
Biochemistry, 46, 2007
2JAU
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BU of 2jau by Molmil
Crystal structure of D41N variant of human mitochondrial 5'(3')- deoxyribonucleotidase (mdN) in complex with 3'-azidothymidine 5'- monophosphate
Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, 5'(3')-DEOXYRIBONUCLEOTIDASE, MAGNESIUM ION, ...
Authors:Wallden, K, Ruzzenente, B, Bianchi, V, Nordlund, P.
Deposit date:2006-11-30
Release date:2007-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Human and Murine Deoxyribonucleotidases: Insights Into Recognition of Substrates and Nucleotide Analogues.
Biochemistry, 46, 2007
2JA9
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BU of 2ja9 by Molmil
Structure of the N-terminal deletion of yeast exosome component Rrp40
Descriptor: EXOSOME COMPLEX EXONUCLEASE RRP40
Authors:Oddone, A, Lorentzen, E, Basquin, J, Gasch, A, Rybin, V, Conti, E, Sattler, M.
Deposit date:2006-11-24
Release date:2006-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Biochemical Characterization of the Yeast Exosome Component Rrp40
Embo Rep., 8, 2007
2JAW
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BU of 2jaw by Molmil
Crystal structure of D41N variant of human mitochondrial 5'(3')- deoxyribonucleotidase (mdN) in complex with 5-bromovinyldeoxyuridine 5'-monophosphate
Descriptor: (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5'(3')-DEOXYRIBONUCLEOTIDASE, MAGNESIUM ION
Authors:Wallden, K, Ruzzenente, B, Bianchi, V, Nordlund, P.
Deposit date:2006-11-30
Release date:2007-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Human and Murine Deoxyribonucleotidases: Insights Into Recognition of Substrates and Nucleotide Analogues.
Biochemistry, 46, 2007
2JAR
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BU of 2jar by Molmil
Crystal structure of D12N variant of mouse cytosolic 5'(3')- deoxyribonucleotidase (cdN) in complex with deoxyuridine 5'- monophosphate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5'(3')-DEOXYRIBONUCLEOTIDASE, MAGNESIUM ION
Authors:Wallden, K, Ruzzenente, B, Bianchi, V, Nordlund, P.
Deposit date:2006-11-30
Release date:2007-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structures of Human and Murine Deoxyribonucleotidases: Insights Into Recognition of Substrates and Nucleotide Analogues.
Biochemistry, 46, 2007
1A6G
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BU of 1a6g by Molmil
CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I.
Deposit date:1998-02-25
Release date:1998-10-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of myoglobin-ligand complexes at near-atomic resolution.
Biophys.J., 77, 1999
5KRI
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BU of 5kri by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 16b-benzyl 17b-estradiol
Descriptor: (8~{R},9~{S},13~{S},14~{S},16~{R},17~{S})-13-methyl-16-(phenylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-07-07
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6IZ4
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BU of 6iz4 by Molmil
Crystal Structure Analysis of TRIC counter-ion channels in calcium release
Descriptor: Trimeric intracellular cation channel type B-B
Authors:Wang, X.H, Zeng, Y, Gao, F, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019

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