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7RXF
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BU of 7rxf by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase Y57F mutant from Pseudomonas Putida (pKSI) at 250 K
Descriptor: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-08-23
Release date:2022-11-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Ensemble-function relationships to dissect mechanisms of enzyme catalysis.
Sci Adv, 8, 2022
5Z6J
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BU of 5z6j by Molmil
High-pressure Crystal Structure Analysis of M20 loop closed DHFR at 220 MPa
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Watanabe, N, Nagae, T, Yamada, H.
Deposit date:2018-01-23
Release date:2018-09-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:High-pressure protein crystal structure analysis of Escherichia coli dihydrofolate reductase complexed with folate and NADP.
Acta Crystallogr D Struct Biol, 74, 2018
7CSQ
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BU of 7csq by Molmil
Solution structure of the complex between p75NTR-DD and TRADD-DD
Descriptor: Tumor necrosis factor receptor superfamily member 16, Tumor necrosis factor receptor type 1-associated DEATH domain protein
Authors:Lin, Z, Zhang, N.
Deposit date:2020-08-16
Release date:2021-08-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of NF-kappa B signaling by the p75 neurotrophin receptor interaction with adaptor protein TRADD through their respective death domains.
J.Biol.Chem., 297, 2021
5FCK
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BU of 5fck by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5
Descriptor: 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide, Complement factor D, SULFATE ION
Authors:Mac Sweeney, A.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
5FDA
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BU of 5fda by Molmil
The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A
Descriptor: CHLORIDE ION, Dihydrofolate reductase
Authors:Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-15
Release date:2015-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:structure of dihydrofolate reductase from Yersinia pestis complex with
To Be Published
3BI1
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BU of 3bi1 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of methotrexate-Glu
Descriptor: (2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Lubkowski, J.
Deposit date:2007-11-29
Release date:2008-01-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs
J.Mol.Biol., 376, 2008
3B5W
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BU of 3b5w by Molmil
Crystal Structure of Eschericia coli MsbA
Descriptor: Lipid A export ATP-binding/permease protein msbA
Authors:Ward, A, Reyes, C.L, Yu, J, Roth, C.B, Chang, G.
Deposit date:2007-10-26
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (5.3 Å)
Cite:Flexibility in the ABC transporter MsbA: Alternating access with a twist.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1Q5C
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BU of 1q5c by Molmil
S-S-lambda-shaped TRANS and CIS interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, W, Cowin, P, Stokes, D.L.
Deposit date:2003-08-06
Release date:2003-10-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
5D6K
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BU of 5d6k by Molmil
PepT - CIM
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Di-or tripeptide:H+ symporter, ...
Authors:Ma, P, Caffrey, M.
Deposit date:2015-08-12
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
3ZIE
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BU of 3zie by Molmil
SepF-like protein from Archaeoglobus fulgidus
Descriptor: SEPF-LIKE PROTEIN
Authors:Duman, R, Ishikawa, S, Celik, I, Ogasawara, N, Lowe, J, Hamoen, L.W.
Deposit date:2013-01-08
Release date:2013-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Genetic Analyses Reveal the Protein Sepf as a New Membrane Anchor for the Z Ring
Proc.Natl.Acad.Sci.USA, 110, 2013
3BHX
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BU of 3bhx by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of Asp-Glu
Descriptor: (2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2007-11-29
Release date:2008-01-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs
J.Mol.Biol., 376, 2008
1Q5B
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BU of 1q5b by Molmil
lambda-shaped TRANS and CIS interactions of cadherins model based on fitting C-cadherin (1L3W) to 3D map of desmosomes obtained by electron tomography
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:He, W, Cowin, P, Stokes, D.L.
Deposit date:2003-08-06
Release date:2003-10-07
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (30 Å)
Cite:Untangling Desmosomal Knots with Electron Tomography
Science, 302, 2003
5H1I
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BU of 5h1i by Molmil
NMR structure of TIBA, a chimera of SFTI
Descriptor: Bradykinin-trypsin inhibitor secondary loop chimera
Authors:Xiao, T, Tam, J.P.
Deposit date:2016-10-10
Release date:2017-04-19
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor.
J. Med. Chem., 60, 2017
5GIW
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BU of 5giw by Molmil
Solution NMR structure of Humanin containing a D-isomerized serine residue
Descriptor: Humanin
Authors:Furuita, K, Sugiki, T, Alsanousi, N, Fujiwara, T, Kojima, C.
Deposit date:2016-06-25
Release date:2016-07-20
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Solution NMR structure and inhibitory effect against amyloid-beta fibrillation of Humanin containing a d-isomerized serine residue
Biochem.Biophys.Res.Commun., 477, 2016
1KO1
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BU of 1ko1 by Molmil
Crystal structure of gluconate kinase
Descriptor: CHLORIDE ION, Gluconate kinase
Authors:Kraft, L, Sprenger, G.A, Lindqvist, Y.
Deposit date:2001-12-20
Release date:2002-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Conformational changes during the catalytic cycle of gluconate kinase as revealed by X-ray crystallography.
J.Mol.Biol., 318, 2002
5H3M
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BU of 5h3m by Molmil
Solution structure of human Gelsolin protein domain 1 at pH 5.0
Descriptor: Gelsolin
Authors:Fan, J.S, Yang, D.
Deposit date:2016-10-26
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for pH-mediated Regulation of F-actin Severing by Gelsolin Domain 1.
Sci Rep, 7, 2017
5G1X
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BU of 5g1x by Molmil
Crystal structure of Aurora-A kinase in complex with N-Myc
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, MAGNESIUM ION, ...
Authors:Richards, M.W, Burgess, S.G, Bayliss, R.
Deposit date:2016-03-31
Release date:2016-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis of N-Myc Binding by Aurora-A and its Destabilization by Kinase Inhibitors
Proc.Natl.Acad.Sci.USA, 113, 2016
1KEQ
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BU of 1keq by Molmil
Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole
Descriptor: 4-METHYLIMIDAZOLE, ACETIC ACID, F65A/Y131C-MI Carbonic Anhydrase V, ...
Authors:Jude, K.M, Wright, S.K, Tu, C, Silverman, D.N, Viola, R.E, Christianson, D.W.
Deposit date:2001-11-16
Release date:2002-03-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle.
Biochemistry, 41, 2002
4RHV
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BU of 4rhv by Molmil
THE USE OF MOLECULAR-REPLACEMENT PHASES FOR THE REFINEMENT OF THE HUMAN RHINOVIRUS 14 STRUCTURE
Descriptor: HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
Authors:Arnold, E, Rossmann, M.G.
Deposit date:1988-01-25
Release date:1988-04-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:The use of molecular-replacement phases for the refinement of the human rhinovirus 14 structure.
Acta Crystallogr.,Sect.A, 44, 1988
5AND
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BU of 5and by Molmil
Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5ANE
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BU of 5ane by Molmil
Crystal structure of CDK2 in complex with 6-methoxy-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 6-METHOXY-9H-PURINE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
4HZM
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BU of 4hzm by Molmil
Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ) bound to N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-hexosaminidase, N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-11-15
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Development of Selective Inhibitors of NagZ: Increased Susceptibility of Gram-Negative Bacteria to beta-Lactams.
Chembiochem, 14, 2013
5ANJ
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BU of 5anj by Molmil
Crystal structure of CDK2 in complex with N-(9H-purin-6-yl)thiophene- 2-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: CYCLIN-DEPENDENT KINASE 2, N-(9H-purin-6-yl)thiophene-2-carboxamide
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5AMW
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BU of 5amw by Molmil
Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 2 protein (A141F) processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: Fra a 2 allergen
Authors:Zander, U, Casanal, A, Pott, D, Valpuesta, V, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-02
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
5ANG
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BU of 5ang by Molmil
Crystal structure of CDK2 in complex with 7-hydroxy-4-(morpholinomethyl)chromen-2-one processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 7-HYDROXY-4-(MORPHOLINOMETHYL)CHROMEN-2-ONE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016

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