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7P4M
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BU of 7p4m by Molmil
Structure of the quinolinate synthase Y107F variant in an empty open form
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4Q
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BU of 7p4q by Molmil
Structure of the quinolinate synthase S124A variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4P
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BU of 7p4p by Molmil
Structure of the quinolinate synthase A84L variant complexed with citrate
Descriptor: CHLORIDE ION, CITRATE ANION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A.
Deposit date:2021-07-12
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
2JPP
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BU of 2jpp by Molmil
Structural basis of RsmA/CsrA RNA recognition: Structure of RsmE bound to the Shine-Dalgarno sequence of hcnA mRNA
Descriptor: RNA (5'-R(*GP*GP*GP*CP*UP*UP*CP*AP*CP*GP*GP*AP*UP*GP*AP*AP*GP*CP*CP*C)-3'), Translational repressor
Authors:Schubert, M, Lapouge, K, Duss, O, Oberstrass, F.C, Jelesarov, I, Haas, D, Allain, F.H.-T.
Deposit date:2007-05-21
Release date:2007-08-21
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Molecular basis of messenger RNA recognition by the specific bacterial repressing clamp RsmA/CsrA
Nat.Struct.Mol.Biol., 14, 2007
2ICE
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BU of 2ice by Molmil
CRIg bound to C3c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C3 alpha chain, ...
Authors:Wiesmann, C.
Deposit date:2006-09-12
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
2NWB
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BU of 2nwb by Molmil
Crystal Structure of a Putative 2,3-dioxygenase (SO4414) from Shewanella oneidensis in complex with ferric heme. Northeast Structural Genomics Target SoR52.
Descriptor: Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Seetharaman, J, Bruckmann, C, Thackray, S.J, Khan, N, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Ma, L.C, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-11-14
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2VQD
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BU of 2vqd by Molmil
Crystal Structure of Biotin Carboxylase from Pseudomonas aeruginosa complexed with AMPCP
Descriptor: BIOTIN CARBOXYLASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Mochalkin, I.
Deposit date:2008-03-13
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
2OHR
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BU of 2ohr by Molmil
X-ray crystal structure of beta secretase complexed with compound 6a
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Patel, S.
Deposit date:2007-01-10
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
6Q39
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BU of 6q39 by Molmil
Complex of Arginase 2 with Example 49
Descriptor: 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide, Arginase-2, mitochondrial, ...
Authors:Podjarny, A.D, Van Zandt, M.C, Cousido-Siah, A.
Deposit date:2018-12-03
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Discovery ofN-Substituted 3-Amino-4-(3-boronopropyl)pyrrolidine-3-carboxylic Acids as Highly Potent Third-Generation Inhibitors of Human Arginase I and II.
J.Med.Chem., 62, 2019
8VYE
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BU of 8vye by Molmil
SARS-CoV-2 S (C.37 Lambda variant) plus S309, S2L20, and S2X303 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, S2L20 Light Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
8VYG
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BU of 8vyg by Molmil
SARS-CoV-2 S RBD (C.37 Lambda variant) plus S309 Fab, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Heavy Chain, S309 Light Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
8VYF
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BU of 8vyf by Molmil
SARS-CoV-2 S NTD (C.37 Lambda variant) plus S2L20 and S2X303 Fabs, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-08
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
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
2JC0
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BU of 2jc0 by Molmil
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB655264
Descriptor: (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE
Authors:Wonacott, A, Skarzynski, T, Singh, O.M.
Deposit date:2006-12-18
Release date:2007-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
2VSY
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BU of 2vsy by Molmil
Xanthomonas campestris putative OGT (XCC0866), apostructure
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
Deposit date:2008-05-01
Release date:2008-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
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
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
2JC1
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BU of 2jc1 by Molmil
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223
Descriptor: (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE
Authors:Wonacott, A, Skarzynski, T, Singh, O.M.
Deposit date:2006-12-18
Release date:2007-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
2W5U
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BU of 2w5u by Molmil
Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin, [2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
Authors:Cremades, N, Perez-Dorado, I, Hermoso, J.A, Martinez-Julvez, M, Sancho, J.
Deposit date:2008-12-12
Release date:2009-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of Specific Flavodoxin Inhibitors as Potential Therapeutic Agents Against Helicobacter Pylori Infection.
Acs Chem.Biol., 4, 2009
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
2GHR
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BU of 2ghr by Molmil
Crystal structure of homoserine o-succinyltransferase (NP_981826.1) from Bacillus cereus ATCC 10987 at 2.40 A resolution
Descriptor: Homoserine O-succinyltransferase, SULFATE ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-03-27
Release date:2006-04-11
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of homoserine O-succinyltransferase from Bacillus cereus at 2.4 A resolution
Proteins, 68, 2007
8RKI
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BU of 8rki by Molmil
Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment
Descriptor: Choriogenin H, YTTERBIUM (III) ION, Zona pellucida sperm-binding protein 3, ...
Authors:Wiseman, B, Zamora-Caballero, S, de Sanctis, D, Yasumasu, S, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
2OKK
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BU of 2okk by Molmil
The X-ray crystal structure of the 65kDa isoform of Glutamic Acid Decarboxylase (GAD65)
Descriptor: GAMMA-AMINO-BUTANOIC ACID, GLYCEROL, Glutamate decarboxylase 2
Authors:Buckle, A.M, Fenalti, G, Law, R.H.P, Whisstock, J.C.
Deposit date:2007-01-17
Release date:2007-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop.
Nat.Struct.Mol.Biol., 14, 2007
3RJ2
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BU of 3rj2 by Molmil
Structural and functional characterization of a novel histone H3 binding protein ORF158L from the Singapore grouper iridovirus (SGIV)
Descriptor: Putative uncharacterized protein
Authors:Chen, L, Liu, Y, Sivaraman, J, Hew, C.L.
Deposit date:2011-04-15
Release date:2012-02-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel histone H3 binding protein ORF158L from the Singapore grouper iridovirus
J.Virol., 85, 2011
1R7D
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BU of 1r7d by Molmil
NMR structure of the membrane anchor domain (1-31) of the nonstructural protein 5A (NS5A) of hepatitis C virus (Ensemble of 51 structures, sample in 50% tfe)
Descriptor: Genome polyprotein
Authors:Penin, F, Brass, V, Appel, N, Ramboarina, S, Montserret, R, Ficheux, D, Blum, H.E, Bartenschlager, R, Moradpour, D.
Deposit date:2003-10-21
Release date:2004-08-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and function of the membrane anchor domain of hepatitis C virus nonstructural protein 5A.
J.Biol.Chem., 279, 2004

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