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7JMC
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BU of 7jmc by Molmil
Sheep Connexin-50 at 2.5 angstroms resolution, Lipid Class 3
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-8 protein
Authors:Flores, J.A, Haddad, B.G, Dolan, K.D, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
Deposit date:2020-07-31
Release date:2020-09-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
5H31
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BU of 5h31 by Molmil
Structural basis for dimerization of the death effector domains of Caspase-8
Descriptor: Caspase-8
Authors:Shen, C, Pei, J, Guo, X, Quan, J.
Deposit date:2016-10-19
Release date:2017-10-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.16953516 Å)
Cite:Structural basis for dimerization of the death effector domains of Caspase-8
To Be Published
7JY2
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BU of 7jy2 by Molmil
Z-DNA joint X-ray/Neutron
Descriptor: Chains: A,B
Authors:Harp, J.M, Coates, L, Egli, M.
Deposit date:2020-08-28
Release date:2021-04-28
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
Cite:Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography.
Nucleic Acids Res., 49, 2021
1VKA
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BU of 1vka by Molmil
Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
Descriptor: Microtubule-associated protein RP/EB family member 1
Authors:Liu, Z.-J, Tempel, W, Schubot, F.D, Shah, A, Dailey, T.A, Mayer, M.R, Rose, J.P, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-05-10
Release date:2004-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
TO BE PUBLISHED
3FZO
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BU of 3fzo by Molmil
Crystal Structure of PYK2-Apo, Proline-rich Tyrosine Kinase
Descriptor: Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZR
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BU of 3fzr by Molmil
Crystal structure of PYK2 complexed with PF-431396
Descriptor: N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide, PHOSPHATE ION, Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZS
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BU of 3fzs by Molmil
Crystal Structure of PYK2 complexed with BIRB796
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZP
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BU of 3fzp by Molmil
Crystal structure of PYK2 complexed with ATPgS
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein tyrosine kinase 2 beta, SULFATE ION
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
3FZT
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BU of 3fzt by Molmil
Crystal structure of PYK2 complexed with PF-4618433
Descriptor: 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea, Protein tyrosine kinase 2 beta
Authors:Han, S.
Deposit date:2009-01-26
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.
J.Biol.Chem., 284, 2009
5BXX
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BU of 5bxx by Molmil
Crystal structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis
Descriptor: L-ectoine synthase
Authors:Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J.
Deposit date:2015-06-09
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily.
Plos One, 11, 2016
5BY5
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BU of 5by5 by Molmil
High resolution structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis
Descriptor: L-ectoine synthase, S-1,2-PROPANEDIOL
Authors:Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J.
Deposit date:2015-06-10
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily.
Plos One, 11, 2016
1SDA
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BU of 1sda by Molmil
CRYSTAL STRUCTURE OF PEROXYNITRITE-MODIFIED BOVINE CU,ZN SUPEROXIDE DISMUTASE
Descriptor: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
Authors:Smith, C.D, Carson, M, Van Der Woerd, M, Chen, J, Ischiropoulos, H, Beckman, J.S.
Deposit date:1993-01-13
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of peroxynitrite-modified bovine Cu,Zn superoxide dismutase.
Arch.Biochem.Biophys., 299, 1992
1VK1
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BU of 1vk1 by Molmil
Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001
Descriptor: Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-04-13
Release date:2004-08-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:(NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
3TUB
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BU of 3tub by Molmil
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
Descriptor: 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea, Tyrosine-protein kinase SYK
Authors:Han, S.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
2GV9
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BU of 2gv9 by Molmil
Crystal structure of the Herpes Simplex virus type 1 DNA polymerase
Descriptor: DNA polymerase, GUANIDINE, MERCURY (II) ION, ...
Authors:Liu, S.
Deposit date:2006-05-02
Release date:2006-05-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of the herpes simplex virus 1 DNA polymerase.
J.Biol.Chem., 281, 2006
1BXG
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BU of 1bxg by Molmil
PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE
Descriptor: HYDROCINNAMIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHENYLALANINE DEHYDROGENASE, ...
Authors:Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M.
Deposit date:1998-10-02
Release date:1999-05-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism.
Biochemistry, 38, 1999
1BW9
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BU of 1bw9 by Molmil
PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE
Descriptor: 1,2-ETHANEDIOL, 3-PHENYLPYRUVIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M.
Deposit date:1998-10-01
Release date:1999-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism.
Biochemistry, 38, 1999
4JLF
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BU of 4jlf by Molmil
Inhibitor resistant (R220A) substitution in the Mycobacterium tuberculosis beta-lactamase
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Hazra, S, Kurz, S, Blanchard, J, Bonomo, R.
Deposit date:2013-03-12
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Can inhibitor-resistant substitutions in the Mycobacterium tuberculosis beta-Lactamase BlaC lead to clavulanate resistance?: a biochemical rationale for the use of beta-lactam-beta-lactamase inhibitor combinations.
Antimicrob.Agents Chemother., 57, 2013
4HCX
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BU of 4hcx by Molmil
Structure of ICDH-1 from M.tuberculosis complexed with NADPH & Mn2+
Descriptor: CHLORIDE ION, Isocitrate dehydrogenase [NADP], MANGANESE (II) ION, ...
Authors:Hazra, S, Blanchard, J.
Deposit date:2012-10-01
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural, Kinetic and Chemical Mechanism of Isocitrate Dehydrogenase-1 from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
4MC8
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BU of 4mc8 by Molmil
Hedycaryol synthase in complex with HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Putative sesquiterpene cyclase
Authors:Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J.
Deposit date:2013-08-21
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
4M0D
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BU of 4m0d by Molmil
Crystal structure of MurQ from H.influenzae in apo form
Descriptor: N-acetylmuramic acid 6-phosphate etherase
Authors:Hazra, S, Blanchard, J.
Deposit date:2013-08-01
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.577 Å)
Cite:Structure of MurNAc 6-phosphate hydrolase (MurQ) from Haemophilus influenzae with a bound inhibitor.
Biochemistry, 52, 2013
3M6H
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BU of 3m6h by Molmil
Crystal Structure of Post-isomerized Ertapenem Covalent Adduct with TB B-lactamase
Descriptor: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Tremblay, L.W.
Deposit date:2010-03-15
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
4DF6
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BU of 4df6 by Molmil
Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
Authors:Hazra, S, Blanchard, J.
Deposit date:2012-01-23
Release date:2012-07-18
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:NXL104 irreversibly inhibits the {beta}-lactamase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
4MC0
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BU of 4mc0 by Molmil
Hedycaryol apo
Descriptor: Putative sesquiterpene cyclase
Authors:Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J.
Deposit date:2013-08-21
Release date:2014-01-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
4LZJ
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BU of 4lzj by Molmil
Crystal Structure of MurQ from H.influenzae with bound inhibitor
Descriptor: 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-6-O-phosphono-D-glucitol, N-acetylmuramic acid 6-phosphate etherase, PHOSPHATE ION
Authors:Hazra, S, Blanchard, J.
Deposit date:2013-07-31
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Structure of MurNAc 6-phosphate hydrolase (MurQ) from Haemophilus influenzae with a bound inhibitor.
Biochemistry, 52, 2013

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數據於2024-07-24公開中

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