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7XQA
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BU of 7xqa by Molmil
Orf1-glycine complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase
Authors:Wang, Y.L, Li, T.L.
Deposit date:2022-05-07
Release date:2023-05-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
6A1T
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BU of 6a1t by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant E33A with lactose
Descriptor: Galectin-10, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.
Deposit date:2018-06-08
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
6DHH
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BU of 6dhh by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
4C8V
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BU of 4c8v by Molmil
Xenopus RSPO2 Fu1-Fu2 crystal form I
Descriptor: R-SPONDIN-2
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin.
Nat.Commun., 4, 2013
6A1U
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BU of 6a1u by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant E33D
Descriptor: Galectin-10
Authors:Su, J.
Deposit date:2018-06-08
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
3WFC
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BU of 3wfc by Molmil
Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment
Descriptor: CALCIUM ION, CARBON MONOXIDE, FE (III) ION, ...
Authors:Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T.
Deposit date:2013-07-18
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
6A1Y
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BU of 6a1y by Molmil
Charcot-Leyden crystal protein/Galectin-10 variant Y35A
Descriptor: Galectin-10
Authors:Su, J.
Deposit date:2018-06-08
Release date:2018-12-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10
Glycobiology, 29, 2019
1DFJ
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BU of 1dfj by Molmil
RIBONUCLEASE INHIBITOR COMPLEXED WITH RIBONUCLEASE A
Descriptor: RIBONUCLEASE A, RIBONUCLEASE INHIBITOR, SULFATE ION
Authors:Kobe, B, Deisenhofer, J.
Deposit date:1996-06-29
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural basis of the interactions between leucine-rich repeats and protein ligands.
Nature, 374, 1995
4MSL
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BU of 4msl by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
Descriptor: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2013-09-18
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
2ZZD
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BU of 2zzd by Molmil
Recombinant thiocyanate hydrolase, air-oxidized form of holo-enzyme
Descriptor: COBALT (III) ION, L(+)-TARTARIC ACID, Thiocyanate hydrolase subunit alpha, ...
Authors:Arakawa, T, Kawano, Y, Katayama, Y, Yohda, M, Odaka, M.
Deposit date:2009-02-09
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis for Catalytic Activation of Thiocyanate Hydrolase Involving Metal-Ligated Cysteine Modification
J.Am.Chem.Soc., 131, 2009
1TQQ
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BU of 1tqq by Molmil
Structure of TolC in complex with hexamminecobalt
Descriptor: COBALT HEXAMMINE(III), Outer membrane protein tolC
Authors:Higgins, M.K, Eswaran, J, Edwards, P.C, Schertler, G.F, Hughes, C, Koronakis, V.
Deposit date:2004-06-18
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of the ligand-blocked periplasmic entrance of the bacterial multidrug effllux protein TolC
J.Mol.Biol., 342, 2004
2OWH
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BU of 2owh by Molmil
Structure of an early-microsecond photolyzed state of CO-bjFixLH
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL
Authors:Key, J, Srajer, V, Pahl, R, Moffat, K.
Deposit date:2007-02-16
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved crystallographic studies of the heme domain of the oxygen sensor FixL: structural dynamics of ligand rebinding and their relation to signal transduction.
Biochemistry, 46, 2007
2LXP
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BU of 2lxp by Molmil
NMR structure of two domains in ubiquitin ligase gp78, RING and G2BR, bound to its conjugating enzyme Ube2g
Descriptor: E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2, ZINC ION
Authors:Das, R, Linag, Y, Mariano, J, Li, J, Huang, T, King, A, Weissman, A, Ji, X, Byrd, R.
Deposit date:2012-08-30
Release date:2013-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
2OWJ
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BU of 2owj by Molmil
Structure of an early-microsecond photolyzed state of CO-bjFixLH, dark state
Descriptor: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL
Authors:Key, J, Srajer, V, Pahl, R, Moffat, K.
Deposit date:2007-02-16
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved crystallographic studies of the heme domain of the oxygen sensor FixL: structural dynamics of ligand rebinding and their relation to signal transduction.
Biochemistry, 46, 2007
2OXQ
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BU of 2oxq by Molmil
Structure of the UbcH5 :CHIP U-box complex
Descriptor: CHLORIDE ION, STIP1 homology and U-Box containing protein 1, Ubiquitin-conjugating enzyme E2D 1
Authors:Xu, Z, Nix, J.C, Devlin, K.I, Misra, S.
Deposit date:2007-02-20
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interactions between the quality control ubiquitin ligase CHIP and ubiquitin conjugating enzymes.
Bmc Struct.Biol., 8, 2008
2KUD
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BU of 2kud by Molmil
NMR structure of the PASTA domain 1 and 2 of Mycobacterium tuberculosis of PknB
Descriptor: Serine/threonine-protein kinase pknB
Authors:Barthe, P, Mukamolova, G, Roumestand, C, Cohen-Gonsaud, M.
Deposit date:2010-02-17
Release date:2010-04-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The structure of PknB extracellular PASTA domain from mycobacterium tuberculosis suggests a ligand-dependent kinase activation
Structure, 18, 2010
4B95
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BU of 4b95 by Molmil
pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound
Descriptor: (2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ...
Authors:Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M.
Deposit date:2012-08-31
Release date:2012-10-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1Alpha
Angew.Chem.Int.Ed.Engl., 51, 2012
1Z5S
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BU of 1z5s by Molmil
Crystal structure of a complex between UBC9, SUMO-1, RANGAP1 and NUP358/RANBP2
Descriptor: Ran GTPase-activating protein 1, Ran-binding protein 2, Ubiquitin-conjugating enzyme E2 I, ...
Authors:Reverter, D, Lima, C.D.
Deposit date:2005-03-19
Release date:2005-06-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Insights into E3 ligase activity revealed by a SUMO-RanGAP1-Ubc9-Nup358 complex.
Nature, 435, 2005
2KUF
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BU of 2kuf by Molmil
NMR structure of the PASTA domain 3 and 4 of Mycobacterium tuberculosis of PknB
Descriptor: Serine/threonine-protein kinase pknB
Authors:Barthe, P, Mukamolova, G, Roumestand, C, Cohen-Gonsaud, M.
Deposit date:2010-02-17
Release date:2010-04-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The structure of PknB extracellular PASTA domain from mycobacterium tuberculosis suggests a ligand-dependent kinase activation
Structure, 18, 2010
2KUE
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BU of 2kue by Molmil
NMR structure of the PASTA domain 2 and 3 of Mycobacterium tuberculosis of PknB
Descriptor: Serine/threonine-protein kinase pknB
Authors:Barthe, P, Mukamolova, G, Roumestand, C, Cohen-Gonsaud, M.
Deposit date:2010-02-17
Release date:2010-04-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The structure of PknB extracellular PASTA domain from mycobacterium tuberculosis suggests a ligand-dependent kinase activation
Structure, 18, 2010
2ETZ
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BU of 2etz by Molmil
The NMR minimized average structure of the Itk SH2 domain bound to a phosphopeptide
Descriptor: Lymphocyte cytosolic protein 2 phosphopeptide fragment, Tyrosine-protein kinase ITK/TSK
Authors:Sundd, M, Pletneva, E.V, Fulton, D.B, Andreotti, A.H.
Deposit date:2005-10-27
Release date:2006-02-07
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Molecular Details of Itk Activation by Prolyl Isomerization and Phospholigand Binding: The NMR Structure of the Itk SH2 Domain Bound to a Phosphopeptide.
J.Mol.Biol., 357, 2006
2EU0
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BU of 2eu0 by Molmil
The NMR ensemble structure of the Itk SH2 domain bound to a phosphopeptide
Descriptor: Lymphocyte cytosolic protein 2 phosphopeptide fragment, Tyrosine-protein kinase ITK/TSK
Authors:Sundd, M, Pletneva, E.V, Fulton, D.B, Andreotti, A.H.
Deposit date:2005-10-27
Release date:2006-02-07
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Molecular Details of Itk Activation by Prolyl Isomerization and Phospholigand Binding: The NMR Structure of the Itk SH2 Domain Bound to a Phosphopeptide.
J.Mol.Biol., 357, 2006
6WPE
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BU of 6wpe by Molmil
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
Descriptor: 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A, Lammens, A.
Deposit date:2020-04-27
Release date:2021-03-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
1BID
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BU of 1bid by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-27
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1AOB
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BU of 1aob by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DDURD
Descriptor: 2'-5'DIDEOXYURIDINE, FORMIC ACID, PHOSPHATE ION, ...
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-30
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998

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