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4OWC
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BU of 4owc by Molmil
PtI6 binding to HEWL
Descriptor: CHLORIDE ION, IODIDE ION, Lysozyme C, ...
Authors:Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R.
Deposit date:2014-01-31
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
1MYW
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BU of 1myw by Molmil
CRYSTAL STRUCTURE OF A YELLOW FLUORESCENT PROTEIN WITH IMPROVED MATURATION AND REDUCED ENVIRONMENTAL SENSITIVITY
Descriptor: Green fluorescent protein
Authors:Rekas, A, Alattia, J.R, Nagai, T, Miyawaki, A, Ikura, M.
Deposit date:2002-10-04
Release date:2003-01-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Venus, a Yellow Fluorescent Protein with Improved Maturation and Reduced Environmental Sensitivity
J.Biol.Chem., 277, 2002
4OCW
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BU of 4ocw by Molmil
Crystal structure of human Fab CAP256-VRC26.06, a potent V1V2-directed HIV-1 neutralizing antibody
Descriptor: CAP256-VRC26.06 heavy chain, CAP256-VRC26.06 light chain
Authors:Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D.
Deposit date:2014-01-09
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies.
Nature, 509, 2014
1MR3
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BU of 1mr3 by Molmil
Saccharomyces cerevisiae ADP-ribosylation Factor 2 (ScArf2) complexed with GDP-3'P at 1.6A resolution
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ADP-ribosylation factor 2, ...
Authors:Amor, J.-C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A.
Deposit date:2002-09-17
Release date:2002-11-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of yeast ARF2 and ARL1: distinct roles for the N terminus in the structure and function of ARF family GTPases.
J.Biol.Chem., 276, 2001
5L3H
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BU of 5l3h by Molmil
Re-refinement of 4dd4; cisplatin coordination chemistry determination at hen egg white lysozyme His15 with standard uncertainties
Descriptor: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Helliwell, J.R, Tanley, S.W.M.
Deposit date:2016-05-06
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cisplatin coordination chemistry determination at hen egg white lysozyme His15 with ligand distances and angles, and their standard uncertainties, and also reporting a split occupancy effect
ArXiv, 2016
5MIL
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BU of 5mil by Molmil
Pirating conserved phage mechanisms promotes promiscuous staphylococcal pathogenicity islands transfer.
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPase family protein, MAGNESIUM ION
Authors:Donderis, J, Marina, A, Penades, J.R.
Deposit date:2016-11-28
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pirating conserved phage mechanisms promotes promiscuous staphylococcal pathogenicity island transfer.
Elife, 6, 2017
5CYG
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BU of 5cyg by Molmil
Crystal Structure of isoform 2 of uridine phosphorylase from Schistosoma mansoni APO form
Descriptor: Putative uridine phosphorylase
Authors:Romanello, L, Torini, J.R, DeMarco, R, Pereira, H.M.
Deposit date:2015-07-30
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.017 Å)
Cite:Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
6ZUJ
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BU of 6zuj by Molmil
Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen).
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R.
Deposit date:2020-07-23
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
6ZSP
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BU of 6zsp by Molmil
Human serine racemase bound to ATP and malonate.
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R.
Deposit date:2020-07-16
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
5DJ0
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BU of 5dj0 by Molmil
Fc Heterodimer Design 11.2 Y349S/K370Y + E357D/S364Q
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
7LVT
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BU of 7lvt by Molmil
Structure of full-length GluK1 with L-Glu
Descriptor: Isoform Glur5-2 of Glutamate receptor ionotropic, kainate 1
Authors:Meyerson, J.R, Selvakumar, P.
Deposit date:2021-02-26
Release date:2021-11-03
Last modified:2021-11-10
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural and compositional diversity in the kainate receptor family.
Cell Rep, 37, 2021
5DJ2
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BU of 5dj2 by Molmil
Fc Heterodimer Design 7.4 Y407A + T366V/K409V
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJD
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BU of 5djd by Molmil
Fc Heterodimer Design 5.1 T366V + Y407F
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5CTA
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BU of 5cta by Molmil
G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 10% [BMIM][Cl]
Descriptor: 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Esterase
Authors:Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L.
Deposit date:2015-07-23
Release date:2015-11-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure.
Chembiochem, 16, 2015
7LJH
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BU of 7ljh by Molmil
Structure of poly(aspartic acid) hydrolase PahZ2 with Zn+2 bound
Descriptor: Poly(Aspartic acid) hydrolase, ZINC ION
Authors:Brambley, C.A, Yared, T.J, Gonzalez, M, Jansch, A.L, Wallen, J.R, Weiland, M.H, Miller, J.M.
Deposit date:2021-01-29
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis.
J.Phys.Chem.B, 125, 2021
7LJI
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BU of 7lji by Molmil
Structure of poly(aspartic acid) hydrolase PahZ2 with Gd+3 bound
Descriptor: GADOLINIUM ION, Poly(Aspartic acid) hydrolase
Authors:Brambley, C.A, Yared, T.J, Gonzalez, M, Jansch, A.L, Wallen, J.R, Weiland, M.H, Miller, J.M.
Deposit date:2021-01-29
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis.
J.Phys.Chem.B, 125, 2021
5DBL
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BU of 5dbl by Molmil
Crystal structure of the Staphylococcus aureus SasG E1-G52 Y625W mutant
Descriptor: Surface protein G
Authors:Whelan, F, Potts, J.R.
Deposit date:2015-08-21
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Disorder drives cooperative folding in a multidomain protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DDK
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BU of 5ddk by Molmil
Succinyl-CoA:acetate CoA-transferase (AarCH6-N347A) in complex with CoA
Descriptor: Acetyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ...
Authors:Kappock, T.J, Mullins, E.A, Murphy, J.R.
Deposit date:2015-08-25
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.127 Å)
Cite:Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.
Front Chem, 4, 2016
5DJ6
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BU of 5dj6 by Molmil
Fc Heterodimer Design 6.1 F405W/Y407A + T366M
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJ8
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BU of 5dj8 by Molmil
Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJC
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BU of 5djc by Molmil
Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F
Descriptor: Fc-III peptide, IODIDE ION, Ig gamma-1 chain C region, ...
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Secrist, E, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-01
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
7MHT
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BU of 7mht by Molmil
CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX
Descriptor: 5'-D(P*CP*CP*AP*TP*GP*AP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI, ...
Authors:O'Gara, M, Horton, J.R, Roberts, R.J, Cheng, X.
Deposit date:1998-08-05
Release date:1998-11-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base.
Nat.Struct.Biol., 5, 1998
5DK2
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BU of 5dk2 by Molmil
Fc Heterodimer E356K/D399K + K392D/K409D
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DJZ
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BU of 5djz by Molmil
Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DVN
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BU of 5dvn by Molmil
Fc K392D/K409D homodimer
Descriptor: Fc-III peptide, Ig gamma-1 chain C region
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-21
Release date:2016-03-30
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016

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