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4DYZ
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BU of 4dyz by Molmil
Crystal Structure of the apo form of Human H-Ferritin variant MIC1
Descriptor: CALCIUM ION, COPPER (II) ION, Ferritin heavy chain
Authors:Tezcan, F.A, Huard, D.J.E.
Deposit date:2012-02-29
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Re-engineering protein interfaces yields copper-inducible ferritin cage assembly.
Nat.Chem.Biol., 9, 2013
4DZ9
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BU of 4dz9 by Molmil
hCA II in complex with novel sulfonamide inhibitors Set D
Descriptor: 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-02-29
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:hCA II in complex with novel sulfonamide inhibitors Set D
To be Published
4DZ4
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BU of 4dz4 by Molmil
X-ray crystal structure of a hypothetical Agmatinase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, Agmatinase, MANGANESE (II) ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-02-29
Release date:2012-03-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4E2L
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BU of 4e2l by Molmil
Crystal Structure of the periplasmic domain of mutant FepE LPS O-antigen chain length regulator protein
Descriptor: Ferric enterobactin (Enterochelin) transport
Authors:Kalynych, S, Yao, D, Magee, J.D, Cygler, M.
Deposit date:2012-03-08
Release date:2012-03-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Characterization of Closely Related O-antigen Lipopolysaccharide (LPS) Chain Length Regulators.
J.Biol.Chem., 287, 2012
4E0M
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BU of 4e0m by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form I)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
Authors:Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
Deposit date:2012-03-04
Release date:2013-02-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3I
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BU of 4e3i by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor
Descriptor: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E3W
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BU of 4e3w by Molmil
Crystal Structure Francisella tularensis histidine acid phosphatase cryoprotected with proline
Descriptor: Acid phosphatase, PROLINE, SULFATE ION
Authors:Tanner, J.J, Pemberton, T.A.
Deposit date:2012-03-10
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4DWG
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BU of 4dwg by Molmil
Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-heptylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Farnesyl pyrophosphate synthase, ...
Authors:Aripirala, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2012-02-24
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
4E3V
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BU of 4e3v by Molmil
Crystal Structure of XYLOSE ISOMERASE FROM STREPTOMYCES RUBIGINOSUS Cryoprotected in Proline
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, PROLINE, ...
Authors:Tanner, J.J, Pemberton, T.A.
Deposit date:2012-03-10
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4DX8
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BU of 4dx8 by Molmil
ICAP1 in complex with KRIT1 N-terminus
Descriptor: BROMIDE ION, Integrin beta-1-binding protein 1, Krev interaction trapped protein 1
Authors:Liu, W, Draheim, K, Zhang, R, Calderwood, D.A, Boggon, T.J.
Deposit date:2012-02-27
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Mechanism for KRIT1 Release of ICAP1-Mediated Suppression of Integrin Activation.
Mol.Cell, 49, 2013
4DY6
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BU of 4dy6 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with 2'-phosphate bis(adenosine)-5'-diphosphate
Descriptor: CITRIC ACID, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, inorganic polyphosphate/ATP-NAD kinase 1
Authors:Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G.
Deposit date:2012-02-28
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
4DYK
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Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn
Descriptor: AMIDOHYDROLASE, GLYCEROL, MAGNESIUM ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Raushel, F.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-02-29
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an adenosine deaminase from pseudomonas aeruginosa pao1 (target nysgrc-200449) with bound zn
to be published
4E0D
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BU of 4e0d by Molmil
Binary complex of Bacillus DNA Polymerase I Large Fragment E658A and duplex DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-03-02
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4E2E
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BU of 4e2e by Molmil
Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide (YWHAG) from Homo sapiens at 2.25 A resolution
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein gamma
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2012-03-08
Release date:2012-03-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activa tion protein, gamma polypeptide (YWHAG) from Homo sapiens at 2.25 A resolution
To be published
4DZU
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BU of 4dzu by Molmil
Complex of 3-alpha bound to gp41-5
Descriptor: 3-alpha, GLYCEROL, gp41-5
Authors:Johnson, L.M, Mortenson, D.E, Yun, H.G, Horne, W.S, Ketas, T.J, Lu, M, Moore, J.P, Gellman, S.H.
Deposit date:2012-03-01
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhancement of alpha-helix mimicry by an alpha / beta-peptide foldamer via incorporation of a dense ionic side-chain array.
J.Am.Chem.Soc., 134, 2012
4E3L
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BU of 4e3l by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E2H
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BU of 4e2h by Molmil
Crystal structure of the periplasmic domain of Shigella flexneri WzzB
Descriptor: Chain length determinant protein
Authors:Kalynych, S, Yao, D, Magee, J.D, Cygler, M.
Deposit date:2012-03-08
Release date:2012-03-28
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Characterization of Closely Related O-antigen Lipopolysaccharide (LPS) Chain Length Regulators.
J.Biol.Chem., 287, 2012
4E2S
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BU of 4e2s by Molmil
Crystal structure of (S)-Ureidoglycine Aminohydrolase from Arabidopsis thaliana in complex with its substrate, (S)-Ureidoglycine
Descriptor: (2S)-amino(carbamoylamino)ethanoic acid, MANGANESE (II) ION, Ureidoglycine aminohydrolase
Authors:Shin, I, Rhee, S.
Deposit date:2012-03-09
Release date:2012-04-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and functional insights into (S)-ureidoglycine aminohydrolase, key enzyme of purine catabolism in Arabidopsis thaliana
J.Biol.Chem., 287, 2012
4DX5
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Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop
Descriptor: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, Acriflavine resistance protein B, DARPIN, ...
Authors:Eicher, T, Cha, H, Seeger, M.A, Brandstaetter, L, El-Delik, J, Bohnert, J.A, Kern, W.V, Verrey, F, Gruetter, M.G, Diederichs, K, Pos, K.M.
Deposit date:2012-02-27
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DZH
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Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn
Descriptor: AMIDOHYDROLASE, GLYCEROL, MAGNESIUM ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Raushel, F.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn
to be published
4E05
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BU of 4e05 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
Authors:Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
Deposit date:2012-03-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E19
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Crystal structure of RNase H1 from halophilic archaeon Halobacterium salinarum NRC-1
Descriptor: MANGANESE (II) ION, ribonuclease H1
Authors:You, D.J, Angkawidjaja, C, Koga, Y, Kanaya, S.
Deposit date:2012-03-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal structure of RNase H1 from halophilic archaeon Halobacterium salinarum NRC-1
To be Published
4E2G
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BU of 4e2g by Molmil
Crystal structure of Cupin fold protein Sthe2323 from Sphaerobacter thermophilus
Descriptor: ACETATE ION, Cupin 2 conserved barrel domain protein, NICKEL (II) ION, ...
Authors:Chang, C, Hatzos-Skintges, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-03-08
Release date:2012-03-21
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of Cupin fold protein Sthe2323 from Sphaerobacter thermophilus
To be Published
4E1S
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BU of 4e1s by Molmil
X-ray crystal structure of the transmembrane beta-domain from intimin from EHEC strain O157:H7
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
Authors:Fairman, J.W, Dautin, N, Wojtowicz, D, Wei, L, Noinaj, N, Barnard, T.J, Udho, E, Finkelstein, A, Przytycka, T.M, Cherezov, V, Buchanan, S.K.
Deposit date:2012-03-07
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.855 Å)
Cite:Crystal Structures of the Outer Membrane Domain of Intimin and Invasin from Enterohemorrhagic E. coli and Enteropathogenic Y. pseudotuberculosis.
Structure, 20, 2012
4DLC
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BU of 4dlc by Molmil
Crystal Structure of Trypanosoma brucei dUTPase with dUMP, MgF3- transition state analogue, and Mg2+
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION, ...
Authors:Hemsworth, G.R, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2012-02-06
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:On the catalytic mechanism of dimeric dUTPases.
Biochem.J., 456, 2013

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PDB entries from 2024-08-28

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