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4O5X
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BU of 4o5x by Molmil
O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine.
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A.
Deposit date:2013-12-20
Release date:2014-07-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
3N4O
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BU of 3n4o by Molmil
Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*(B7C)P*CP*GP*CP*G)-3'
Authors:Takenaka, A, Juan, E.C.M, Shimizu, S.
Deposit date:2010-05-22
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one.
Nucleic Acids Res., 2010
6U1G
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BU of 6u1g by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2019-08-15
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
6D5R
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BU of 6d5r by Molmil
Hexagonal thermolysin cryocooled to 100 K with 50% xylose as cryoprotectant
Descriptor: CALCIUM ION, LYSINE, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00002122 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5N
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BU of 6d5n by Molmil
Hexagonal thermolysin (295) in the presence of 50% xylose
Descriptor: CALCIUM ION, LYSINE, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00003672 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5Q
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BU of 6d5q by Molmil
Hexagonal thermolysin cryocooled to 100 K with 30% xylose as cryoprotectant
Descriptor: CALCIUM ION, LYSINE, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00016141 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D6F
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BU of 6d6f by Molmil
Triclinic lysozyme cryocooled to 100 K with 47% xylose as cryoprotectant
Descriptor: Lysozyme C, NITRATE ION, alpha-D-xylopyranose
Authors:Juers, D.H.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
4MYB
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BU of 4myb by Molmil
Crystal Structure of Francisella tularensis 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD)
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Noble, S.M, Tsang, A.K, Couch, R.D.
Deposit date:2013-09-27
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Francisella tularensis 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD)
To be Published
3K45
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BU of 3k45 by Molmil
Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
Descriptor: 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2009-10-05
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009
3V0H
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BU of 3v0h by Molmil
Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), complexed with D-MYO-inositol-1,4,5-triphosphate
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Voltage-sensor containing phosphatase
Authors:Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L.
Deposit date:2011-12-08
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
1KMV
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BU of 1kmv by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9662), A LIPOPHILIC ANTIFOLATE
Descriptor: (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, DIMETHYL SULFOXIDE, ...
Authors:Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W.
Deposit date:2001-12-17
Release date:2002-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution.
J.Mol.Biol., 320, 2002
4O5W
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BU of 4o5w by Molmil
O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A.
Deposit date:2013-12-20
Release date:2014-07-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
4O5Z
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BU of 4o5z by Molmil
O6-carboxymethylguanine in DNA forms a sequence context dependent wobble base pair structure with thymine
Descriptor: BARIUM ION, DNA (5'-D(*CP*GP*CP*(C6G)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), SODIUM ION
Authors:Zhang, F, Tsunoda, M, Suzuki, K, Kikuchi, Y, Wilkinson, O, Millington, C.L, Margison, G.P, Williams, D.M, Takenaka, A.
Deposit date:2013-12-20
Release date:2014-07-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:O(6)-Carboxymethylguanine in DNA forms a sequence context-dependent wobble base-pair structure with thymine
Acta Crystallogr.,Sect.D, 70, 2014
1KMS
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BU of 1kms by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE
Descriptor: 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W.
Deposit date:2001-12-17
Release date:2002-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution.
J.Mol.Biol., 320, 2002
4F9D
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BU of 4f9d by Molmil
Structure of Escherichia coli PgaB 42-655 in complex with nickel
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, CALCIUM ION, ...
Authors:Little, D.J, Poloczek, J, Whitney, J.C, Robinson, H, Nitz, M, Howell, P.L.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure and Metal Dependent Activity of Escherichia coli PgaB Provides Insight into the Partial De-N-acetylation of Poly-b-1,6-N-acetyl-D-glucosamine
J.Biol.Chem., 287, 2012
4F9J
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BU of 4f9j by Molmil
Structure of Escherichia coli PgaB 42-655 in complex with iron
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, CALCIUM ION, ...
Authors:Little, D.J, Poloczek, J, Whitney, J.C, Robinson, H, Nitz, M, Howell, P.L.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:The Structure and Metal Dependent Activity of Escherichia coli PgaB Provides Insight into the Partial De-N-acetylation of Poly-b-1,6-N-acetyl-D-glucosamine
J.Biol.Chem., 287, 2012
5UWV
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BU of 5uwv by Molmil
Crystal structure of Mycobacterium abscessus L,D-transpeptidase 2
Descriptor: L,D-TRANSPEPTIDASE 2
Authors:Kumar, P, Ginell, S.L, Lamichhane, G.
Deposit date:2017-02-21
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.
Antimicrob. Agents Chemother., 61, 2017
4M2C
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BU of 4m2c by Molmil
Crystal structure of non-heme iron oxygenase OrfP in complex with Fe and D-Arg
Descriptor: D-ARGININE, FE (III) ION, L-arginine beta-hydroxylase
Authors:Chang, C.Y, Liu, Y.C, Lyu, S.Y, Wu, C.C, Li, T.L.
Deposit date:2013-08-05
Release date:2014-06-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Biosynthesis of streptolidine involved two unexpected intermediates produced by a dihydroxylase and a cyclase through unusual mechanisms.
Angew.Chem.Int.Ed.Engl., 53, 2014
4P7L
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BU of 4p7l by Molmil
Structure of Escherichia coli PgaB C-terminal domain, P212121 crystal form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Authors:Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
Deposit date:2014-03-27
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
9BNL
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BU of 9bnl by Molmil
Cryo-EM structure of rhesus antibody 6070-a.01 in complex with HIV-1 Env trimer Q23.17 MD39
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6070-a.01 heavy chain, ...
Authors:Roark, R.S, Shapiro, L, Kwong, P.D.
Deposit date:2024-05-02
Release date:2025-05-07
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:HIV-1 neutralizing antibodies in SHIV-infected macaques recapitulate structurally divergent modes of human V2 apex recognition with a single D gene
To Be Published
9BNM
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BU of 9bnm by Molmil
Cryo-EM structure of rhesus antibody 44715-a.01 in complex with HIV-1 Env BG505 DS-SOSIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 44715-a.01 light chain, ...
Authors:Roark, R.S, Shapiro, L, Kwong, P.D.
Deposit date:2024-05-02
Release date:2025-05-07
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:HIV-1 neutralizing antibodies in SHIV-infected macaques recapitulate structurally divergent modes of human V2 apex recognition with a single D gene
To Be Published
9BNP
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BU of 9bnp by Molmil
Cryo-EM structure of rhesus antibody V033-a.01 in complex with HIV-1 Env BG505 DS-SOSIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein Gp120, ...
Authors:Roark, R.S, Shapiro, L, Kwong, P.D.
Deposit date:2024-05-02
Release date:2025-05-07
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:HIV-1 neutralizing antibodies in SHIV-infected macaques recapitulate structurally divergent modes of human V2 apex recognition with a single D gene
To Be Published
9BNK
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BU of 9bnk by Molmil
Cryo-EM structure of rhesus antibody V031-a.01 in complex with HIV-1 Env BG505 DS-SOSIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein Gp41, ...
Authors:Roark, R.S, Shapiro, L, Kwong, P.D.
Deposit date:2024-05-02
Release date:2025-05-07
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:HIV-1 neutralizing antibodies in SHIV-infected macaques recapitulate structurally divergent modes of human V2 apex recognition with a single D gene
To Be Published
6U1K
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BU of 6u1k by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate, D-alanine-D-alanine, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, D-ALANINE, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2019-08-15
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
8RZK
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BU of 8rzk by Molmil
The Michaelis complex of ZgGH129 D486N from Zobellia galactanivorans with neo-b/k-oligo-carrageenan tetrasaccharide (beta-kappa neo-oligo-carrageenan DP4).
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CHLORIDE ION, ...
Authors:Roret, T, Czjzek, M, Ficko-Blean, E.
Deposit date:2024-02-12
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 63, 2024

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