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4FG8
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BU of 4fg8 by Molmil
Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-315 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1
Authors:Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J.
Deposit date:2012-06-04
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
6YSP
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BU of 6ysp by Molmil
Arabidopsis aspartate transcarbamoylase complex with PALA and carbamoyl phosphate
Descriptor: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-23
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YW9
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BU of 6yw9 by Molmil
Arabidopsis aspartate transcarbamoylase mutant F161A complex with PALA
Descriptor: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PYRB
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-29
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
7LVJ
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BU of 7lvj by Molmil
CASP8 isoform G DED domain
Descriptor: Isoform 9 of Caspase-8
Authors:Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M.
Deposit date:2021-02-25
Release date:2022-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior.
ACR Open Rheumatol, 4, 2022
6YVB
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BU of 6yvb by Molmil
Arabidopsis aspartate transcarbamoylase complex with carbamoyl phosphate
Descriptor: ACETATE ION, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-28
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.826 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YSY
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BU of 6ysy by Molmil
Skeletal Myosin bound to MPH-220, MgADP-VO4
Descriptor: (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Canon, L, Kikuti, C.M, Gyimesi, M, Malnasi-Csizmadia, A, Houdusse, A.
Deposit date:2020-04-23
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.246 Å)
Cite:Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting for Spasticity and Muscle Stiffness.
Cell, 183, 2020
6YY1
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BU of 6yy1 by Molmil
Arabidopsis aspartate transcarbamoylase in apo state
Descriptor: GLYCEROL, PYRB
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-05-04
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YWJ
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BU of 6ywj by Molmil
Arabidopsis aspartate transcarbamoylase mutant F161A complex with UMP
Descriptor: GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-29
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YYW
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BU of 6yyw by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYY
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BU of 6yyy by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2,2-dimethyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6Z6Q
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BU of 6z6q by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-29
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6Z6R
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BU of 6z6r by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-29
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
4FLO
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BU of 4flo by Molmil
Crystal structure of Amylosucrase double mutant A289P-F290C from Neisseria polysaccharea
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amylosucrase, GLYCEROL, ...
Authors:Guerin, F, Champion, E, Moulis, C, Barbe, S, Tran, T.H, Morel, S, Descroix, K, Monsan, P, Mulard, L.A, Remaud-Simeon, M, Andre, I, Mourey, L, Tranier, S.
Deposit date:2012-06-15
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Applying pairwise combinations of amino Acid mutations for sorting out highly efficient glucosylation tools for chemo-enzymatic synthesis of bacterial oligosaccharides.
J.Am.Chem.Soc., 134, 2012
6YYV
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BU of 6yyv by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 3-methyl-2-oxoglutarate
Descriptor: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYU
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BU of 6yyu by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYX
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BU of 6yyx by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase
Chem Sci, 12, 2021
4FOM
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BU of 4fom by Molmil
Crystal structure of human nectin-3 full ectodomain (D1-D3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor-related protein 3, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Harrison, O.J, Jin, X, Brasch, J, Shapiro, L.
Deposit date:2012-06-20
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.93 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FPB
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BU of 4fpb by Molmil
Crystal Structure of Recombinant Human Hexokinase Type I with 1,5-Anhydroglucitol 6-Phosphate
Descriptor: 1,5-anhydro-6-O-phosphono-D-glucitol, CITRIC ACID, Hexokinase-1, ...
Authors:Shen, L, Honzatko, R.B.
Deposit date:2012-06-21
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibitor Sites of Unequal Affinity Linked by Binding Synergism in Mutant Forms of Recombinant Human Hexokinase Type-I
to be published
4FQ2
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BU of 4fq2 by Molmil
Crystal Structure of 10-1074 Fab
Descriptor: 1,2-ETHANEDIOL, Fab heavy chain, Fab light chain, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2012-06-24
Release date:2012-11-14
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Complex-type N-glycan recognition by potent broadly neutralizing HIV antibodies.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FQP
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BU of 4fqp by Molmil
Crystal structure of human Nectin-like 5 full ectodomain (D1-D3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, ...
Authors:Harrison, O.J, Jin, X, Brasch, J, Shapiro, L.
Deposit date:2012-06-25
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4F8Q
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BU of 4f8q by Molmil
Crystal Structure of the Human BTN3A2 Ectodomain
Descriptor: Butyrophilin subfamily 3 member A2
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-17
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3789 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
4F9K
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BU of 4f9k by Molmil
Crystal Structure of human cAMP-dependent protein kinase type I-beta regulatory subunit (fragment 11-73), Northeast Structural Genomics Consortium (NESG) Target HR8613A
Descriptor: cAMP-dependent protein kinase type I-beta regulatory subunit
Authors:Kuzin, A, Lew, S, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Shastry, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-18
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of human cAMP-dependent protein kinase type I-beta regulatory subunit (fragment 11-73), Northeast Structural Genomics Consortium (NESG) Target HR8613A
To be Published
4FCZ
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BU of 4fcz by Molmil
Crystal Structure of Toluene-tolerance protein from Pseudomonas putida (strain KT2440), Northeast Structural Genomics Consortium (NESG) Target PpR99
Descriptor: Toluene-tolerance protein
Authors:Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-05-25
Release date:2013-02-13
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Northeast Structural Genomics Consortium Target PpR99
To be Published
4FE7
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BU of 4fe7 by Molmil
structure of xylose-binding transcription activator xylR
Descriptor: Xylose operon regulatory protein, alpha-D-xylopyranose
Authors:Ni, L, Schumacher, M.A.
Deposit date:2012-05-29
Release date:2012-12-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the Escherichia coli transcription activator and regulator of diauxie, XylR: an AraC DNA-binding family member with a LacI/GalR ligand-binding domain.
Nucleic Acids Res., 41, 2013
7LCW
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BU of 7lcw by Molmil
Aspartimidylated Lasso Peptide Lihuanodin
Descriptor: Lasso Peptide Lihuanodin
Authors:Link, A.J, Cao, L.
Deposit date:2021-01-11
Release date:2021-07-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Cellulonodin-2 and Lihuanodin: Lasso Peptides with an Aspartimide Post-Translational Modification.
J.Am.Chem.Soc., 143, 2021

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