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4EPE
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BU of 4epe by Molmil
Final Urease Structure for Radiation Damage Experiment at 300 K
Descriptor: NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ...
Authors:Warkentin, M, Badeau, R, Hopkins, J.B, Thorne, R.E.
Deposit date:2012-04-17
Release date:2012-08-29
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Spatial distribution of radiation damage to crystalline proteins at 25-300 K.
Acta Crystallogr.,Sect.D, 68, 2012
3SR1
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BU of 3sr1 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS A69G bound to Ca2+ and thymidine-5',3'-diphosphate at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, thermonuclease
Authors:Doctrow, B.M, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A.
Deposit date:2011-07-06
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS A69G bound to Ca2+ and thymidine-5',3'-diphosphate at cryogenic temperature
To be Published
3E19
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BU of 3e19 by Molmil
Crystal Structure of Iron Uptake Regulatory Protein (FeoA) Solved by Sulfur SAD in a Monoclinic Space Group
Descriptor: FeoA, GLYCEROL, PHOSPHATE ION
Authors:Hughes, R.C, Li, Y, Wang, B.-C, Liu, Z.-J, Ng, J.D.
Deposit date:2008-08-02
Release date:2008-12-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Structure Determination of Iron Uptake Regulatory Protein (FeoA) by Sulfur SAD in a Monoclinic Space Group
To be Published
3DYI
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BU of 3dyi by Molmil
Snapshots of esterase D from lactobacillus rhamnosus: Insights into a rotation driven catalytic mechanism
Descriptor: CHLORIDE ION, Esterase D
Authors:Bennett, M.D, Delabre, M.-L, Holland, R, Norris, G.E.
Deposit date:2008-07-28
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Snapshots of esterase D from lactobacillus rhamnosus: Insights into a rotation driven catalytic mechanism
To be Published
3SRU
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BU of 3sru by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Descriptor: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
4EKS
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BU of 4eks by Molmil
T4 Lysozyme L99A/M102H with Isoxazole Bound
Descriptor: 1,2-benzisoxazole, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-04-09
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Engineering a model protein cavity to catalyze the Kemp elimination.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
4EL7
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BU of 4el7 by Molmil
Initial Thaumatin Structure for Radiation Damage Experiment at 300 K
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Warkentin, M, Badeau, R, Hopkins, J.B, Thorne, R.E.
Deposit date:2012-04-10
Release date:2012-08-29
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Spatial distribution of radiation damage to crystalline proteins at 25-300 K.
Acta Crystallogr.,Sect.D, 68, 2012
3DV6
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BU of 3dv6 by Molmil
Crystal structure of SAG506-01, tetragonal, crystal 2
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
Authors:Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
Deposit date:2008-07-18
Release date:2008-12-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
3STC
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BU of 3stc by Molmil
Crystal structure of loop 7 truncated mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION
Authors:Allison, T.M, Jameson, G.B, Parker, E.J.
Deposit date:2011-07-09
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An Extended (beta)7(alpha)7 Substrate-Binding Loop Is Essential for Efficient Catalysis by 3-Deoxy-D-manno-Octulosonate 8-Phosphate Synthase
Biochemistry, 50, 2011
3DZO
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BU of 3dzo by Molmil
Crystal structure of a rhoptry kinase from toxoplasma gondii
Descriptor: MAGNESIUM ION, Rhoptry kinase domain
Authors:Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-07-30
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
4ENT
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BU of 4ent by Molmil
Structure of the S234A variant of E. coli KatE
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Loewen, P.C, Jha, V.
Deposit date:2012-04-13
Release date:2012-05-02
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Influence of main channel structure on H(2)O(2) access to the heme cavity of catalase KatE of Escherichia coli.
Arch.Biochem.Biophys., 526, 2012
3DX7
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BU of 3dx7 by Molmil
Crystal Structure of HLA-B*4403 presenting 10mer EBV antigen
Descriptor: ACETATE ION, Beta-2-microglobulin, EBV decapeptide epitope, ...
Authors:Archbold, J.K, Ely, L.K, Rossjohn, J.
Deposit date:2008-07-23
Release date:2009-01-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Natural micropolymorphism in human leukocyte antigens provides a basis for genetic control of antigen recognition.
J.Exp.Med., 206, 2009
4GGQ
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BU of 4ggq by Molmil
Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with CJ40
Descriptor: 3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-08-07
Release date:2012-08-15
Last modified:2024-02-28
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
4EQJ
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BU of 4eqj by Molmil
Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-19
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
3E1W
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BU of 3e1w by Molmil
H. influenzae beta-carbonic anhydrase, variant D44N in 100 mM sodium bicarbonate
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Rowlett, R.S.
Deposit date:2008-08-04
Release date:2009-06-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric site variants of Haemophilus influenzae beta-carbonic anhydrase.
Biochemistry, 48, 2009
3DXN
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BU of 3dxn by Molmil
Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain.
Descriptor: Calmodulin-like domain protein kinase isoform 3
Authors:Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Wasney, G, Lin, Y.H, Hassani, A, Ali, A, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wikstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2008-07-24
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain.
To be Published
3DQN
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BU of 3dqn by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 500 Atmospheres: Structure 3 in a Series of 26 High Pressure Structures
Descriptor: Green fluorescent protein
Authors:Barstow, B, Kim, C.U.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2OLK
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BU of 2olk by Molmil
ABC Protein ArtP in complex with ADP-beta-S
Descriptor: 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, Amino acid ABC transporter
Authors:Thaben, P.F, Eckey, V, Scheffel, F, Saenger, W, Schneider, E, Vahedi-Faridi, A.
Deposit date:2007-01-19
Release date:2008-01-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the ATP-binding cassette (ABC) protein ArtP from Geobacillus stearothermophilus reveal a stable dimer in the post hydrolysis state and an asymmetry in the dimerization region
To be Published
4GH8
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BU of 4gh8 by Molmil
Crystal structure of a 'humanized' E. coli dihydrofolate reductase
Descriptor: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
Authors:French, J.B, Liu, C.T, Hanoian, P, Pringle, T.H, Hammes-Schiffer, S, Benkovic, S.J.
Deposit date:2012-08-07
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Proc.Natl.Acad.Sci.USA, 110, 2013
2OMT
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BU of 2omt by Molmil
Crystal structure of InlA G194S+S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin; E-Cad/CTF1, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4ETU
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BU of 4etu by Molmil
Crystal structure of rabbit ryanodine receptor 1 mutant R2939S
Descriptor: GLYCEROL, Ryanodine receptor 1
Authors:Yuchi, Z, Lau, K, Van Petegem, F.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Disease mutations in the ryanodine receptor central region: crystal structures of a phosphorylation hot spot domain.
Structure, 20, 2012
3S9N
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BU of 3s9n by Molmil
Complex between transferrin receptor 1 and transferrin with iron in the N-Lobe, room temperature
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ...
Authors:Eckenroth, B.E, Steere, A.N, Mason, A.B, Everse, S.J.
Deposit date:2011-06-01
Release date:2011-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:How the binding of human transferrin primes the transferrin receptor potentiating iron release at endosomal pH.
Proc.Natl.Acad.Sci.USA, 108, 2011
4EU7
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BU of 4eu7 by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6) in complex with CoA and citrate
Descriptor: CHLORIDE ION, CITRIC ACID, COENZYME A, ...
Authors:Mullins, E.A, Kappock, T.J.
Deposit date:2012-04-25
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Acetobacter aceti Succinyl-Coenzyme A (CoA):Acetate CoA-Transferase Reveal Specificity Determinants and Illustrate the Mechanism Used by Class I CoA-Transferases.
Biochemistry, 51, 2012
4EUM
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BU of 4eum by Molmil
Crystal structure of a sugar kinase (Target EFI-502132) from Oceanicola granulosus with bound AMP, crystal form II
Descriptor: 2-dehydro-3-deoxygluconokinase, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-04-25
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a sugar kinase (Target EFI-502132) from Oceanicola granulosus with bound AMP, crystal form II
To be Published

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