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4FLB
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BU of 4flb by Molmil
CID of human RPRD2
Descriptor: PRASEODYMIUM ION, Regulation of nuclear pre-mRNA domain-containing protein 2, SULFATE ION, ...
Authors:Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
Deposit date:2012-06-14
Release date:2012-08-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
4FQO
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BU of 4fqo by Molmil
Crystal Structure of Calcium-Loaded S100B Bound to SBi4211
Descriptor: 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B
Authors:McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J.
Deposit date:2012-06-25
Release date:2012-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B.
ACS Med Chem Lett, 3, 2012
4FQS
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BU of 4fqs by Molmil
Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Thymidylate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C.
Deposit date:2012-06-25
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition
To be Published
4FDD
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BU of 4fdd by Molmil
Crystal structure of KAP beta2-PY-NLS
Descriptor: RNA-binding protein FUS, Transportin-1
Authors:Zhang, Z.C, Chook, Y.M.
Deposit date:2012-05-28
Release date:2012-07-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and energetic basis of ALS-causing mutations in the atypical proline-tyrosine nuclear localization signal of the Fused in Sarcoma protein (FUS).
Proc.Natl.Acad.Sci.USA, 109, 2012
4F9E
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BU of 4f9e by Molmil
Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING
Descriptor: Transmembrane protein 173
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING.
Mol.Cell, 46, 2012
4FA0
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BU of 4fa0 by Molmil
Crystal structure of human AdPLA to 2.65 A resolution
Descriptor: Group XVI phospholipase A1/A2
Authors:Lovell, S, Battaile, K.P, Addington, L, Zhang, N, Rao, J.L.U.M, Moise, A.R.
Deposit date:2012-05-21
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure/Function relationships of adipose phospholipase A2 containing a cys-his-his catalytic triad.
J.Biol.Chem., 287, 2012
4FP2
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BU of 4fp2 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2[(Cyclohexylmethyl)ammonio]sulfonate
Descriptor: 2-[(cyclohexylmethyl)amino]ethanesulfonic acid, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-21
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FPL
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Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3,4-dichlorobenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3,4-dichlorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FLL
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BU of 4fll by Molmil
Human MetAP1 with bengamide analog YZ6, in Mn form
Descriptor: (E,2R,3R,4S,5R)-N-[(3R)-3-(furan-2-yl)-3-phenyl-propyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ...
Authors:Ye, Q.Z, Xu, W.
Deposit date:2012-06-14
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
4FN2
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BU of 4fn2 by Molmil
Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface mutation D44G from Burkholderia pseudomallei complexed with CJ37
Descriptor: Ubiquitin-like protein SMT3, Peptidyl-prolyl cis-trans isomerase, ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-06-19
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Antimicrob.Agents Chemother., 58, 2014
4FOA
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BU of 4foa by Molmil
Crystal Structure of the Mtb ThyA in Complex with 5-fluoro-dUMP
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-20
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FPE
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BU of 4fpe by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(4-Methoxybenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(4-methoxybenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.181 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FQ7
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BU of 4fq7 by Molmil
Crystal structure of the maleate isomerase Iso from Pseudomonas putida S16
Descriptor: Maleate cis-trans isomerase
Authors:Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P.
Deposit date:2012-06-25
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
4FC3
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BU of 4fc3 by Molmil
Crystal Structure of Human Methaemoglobin Complexed with the Second NEAT Domain of IsdH from Staphylococcus aureus
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ...
Authors:Krishna Kumar, K, Jacques, D.A, Guss, J.M, Gell, D.A.
Deposit date:2012-05-24
Release date:2013-05-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of the Hemoglobin-IsdH Complex Reveals the Molecular Basis of Iron Capture by Staphylococcus aureus
J.Biol.Chem., 289, 2014
4F6G
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BU of 4f6g by Molmil
Aquomet Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
Descriptor: GLYCEROL, Neural hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Soman, J, Salter, M.D, Olson, J.S.
Deposit date:2012-05-14
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Aquomet Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
To be Published
4F8D
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BU of 4f8d by Molmil
Crystal Structure of an R46A mutant of the Restriction-Modification Controller Protein C.Esp1396I (Monoclinic Form)
Descriptor: Regulatory protein, SODIUM ION, SULFATE ION
Authors:Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
Deposit date:2012-05-17
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
4F8P
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BU of 4f8p by Molmil
X-ray structure of PsaA from Yersinia pestis, in complex with galactose
Descriptor: ACETATE ION, TERT-BUTYL FORMATE, beta-D-galactopyranose, ...
Authors:Bao, R, Esser, L, Xia, D.
Deposit date:2012-05-17
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FAO
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BU of 4fao by Molmil
Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 2, ...
Authors:Townson, S.A, Martinez-Hackert, E, Greppi, C, Lowden, P, Sako, D, Liu, J, Ucran, J.A, Liharska, K, Underwood, K.W, Seehra, J, Kumar, R, Grinberg, A.V.
Deposit date:2012-05-22
Release date:2012-06-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.357 Å)
Cite:Specificity and Structure of a High Affinity Activin Receptor-like Kinase 1 (ALK1) Signaling Complex.
J.Biol.Chem., 287, 2012
4FKX
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BU of 4fkx by Molmil
Crystal structure of nucleoside diphosphate kinase B from Trypanosoma brucei bound to CDP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-06-13
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of nucleoside diphosphate kinase B from Trypanosoma brucei bound to CDP
To be Published
4FEA
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BU of 4fea by Molmil
Crystal structure of CASPASE-7 in Complex with allosteric inhibitor
Descriptor: Caspase-7, chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper
Authors:Kabaleeswaran, V.
Deposit date:2012-05-29
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
4FO7
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BU of 4fo7 by Molmil
Pseudomonas aeruginosa MetAP, in Mn form
Descriptor: MANGANESE (II) ION, Methionine aminopeptidase
Authors:Ye, Q.Z, Lu, J.P.
Deposit date:2012-06-20
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methionine excision captured by the structures of a methionine aminopeptidase
To be published
4FQW
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BU of 4fqw by Molmil
Crystal Structure of AAAA+UDP+Gal at pH 5.0 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, TETRAETHYLENE GLYCOL, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-25
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
4FPG
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BU of 4fpg by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-Hydroxybenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-hydroxybenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.576 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FRD
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BU of 4frd by Molmil
Crystal Structure of ABBA+UDP+Gal at pH 9.0 with MPD as the cryoprotectant
Descriptor: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Johal, A.R, Alfaro, J.A, Blackler, R.J, Schuman, B, Borisova, S.N, Evans, S.V.
Deposit date:2012-06-26
Release date:2013-12-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.
Glycobiology, 24, 2014
4FQ5
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BU of 4fq5 by Molmil
Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with maleate
Descriptor: MALEIC ACID, Maleate cis-trans isomerase
Authors:Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P.
Deposit date:2012-06-25
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013

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