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4QTI
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BU of 4qti by Molmil
Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12
Descriptor: Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ...
Authors:Zhao, B, Yuan, C, Luo, Z, Huang, M.
Deposit date:2014-07-08
Release date:2015-02-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
4R1M
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BU of 4r1m by Molmil
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.48 A resolution
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-08-06
Release date:2014-08-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.48 A resolution
To be published
4R95
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BU of 4r95 by Molmil
BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Strickland, C, Caldwell, J.P.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4QSA
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BU of 4qsa by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-07-03
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
3SUP
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BU of 3sup by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dCTP Opposite 2AP (GC rich sequence)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)-3', ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-11
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
4RGB
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BU of 4rgb by Molmil
Crystal structure of a putative carveol dehydrogenase from Mycobacterium avium bound to NAD
Descriptor: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4QSJ
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BU of 4qsj by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, CITRIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-07-04
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
4R8Y
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BU of 4r8y by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Caldwell, J.P, Strickland, C.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4S34
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BU of 4s34 by Molmil
ERK2 (I84A) in complex with AMP-PNP
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Livnah, O, Karamansha, Y, Tzarum, N.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published
4RN3
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BU of 4rn3 by Molmil
Crystal structure of a HAD-superfamily hydrolase, subfamily IA, variant 1 (GSU2069) from Geobacter sulfurreducens PCA at 2.15 A resolution
Descriptor: 1,2-ETHANEDIOL, HAD superfamily hydrolase, MAGNESIUM ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-10-22
Release date:2014-11-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of a HAD-superfamily hydrolase, subfamily IA, variant 1 (GSU2069) from Geobacter sulfurreducens PCA at 2.15 A resolution
To be published
4RVO
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BU of 4rvo by Molmil
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.41 A resolution
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-11-26
Release date:2014-12-31
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.41 A resolution
To be published
4RM8
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BU of 4rm8 by Molmil
Crystal structure of human ezrin in space group P21
Descriptor: Ezrin
Authors:Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
Deposit date:2014-10-20
Release date:2015-12-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
4S32
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BU of 4s32 by Molmil
Crystal structure of ERK2 AMP-PNP complex
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Livnah, O, Karamansha, Y, Tzarum, N.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of ERK2 AMP-PNP complex
To be Published
4S30
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BU of 4s30 by Molmil
ERK2 intrinsically active mutant (I84A)
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Karamansha, Y.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published
4QHZ
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BU of 4qhz by Molmil
Crystal structure of a putative glycosyl hydrolase (BDI_3914) from Parabacteroides distasonis ATCC 8503 at 2.13 A resolution
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, putative glycosyl hydrolase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-05-30
Release date:2014-07-30
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structure of a putative glycosyl hydrolase (BDI_3914) from Parabacteroides distasonis ATCC 8503 at 2.13 A resolution
To be published
4Q4Y
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BU of 4q4y by Molmil
Crystal structure of Coxsackievirus A24v soaked with Disialyllacto-N-tetraose (DSLNT)
Descriptor: CALCIUM ION, CHLORIDE ION, Coxsackievirus capsid protein VP1, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2014-04-15
Release date:2014-11-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:A sialic Acid binding site in a human picornavirus.
Plos Pathog., 10, 2014
4QK4
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BU of 4qk4 by Molmil
Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to pip2 at 2.8 a resolution
Descriptor: (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate, 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-06-05
Release date:2014-07-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4Q9L
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BU of 4q9l by Molmil
P-glycoprotein cocrystallised with QZ-Phe
Descriptor: (30F)F(30F)F(30F)F Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
4QP7
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BU of 4qp7 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4Q1Z
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BU of 4q1z by Molmil
Crystal structure of a DUF4876 family protein (BT_1938) from Bacteroides thetaiotaomicron VPI-5482 at 2.50 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, Putative lipoprotein, TRIETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-04-04
Release date:2014-04-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a hypothetical protein (BT1938) from Bacteroides thetaiotaomicron VPI-5482 at 2.50 A resolution
To be published
4QP4
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BU of 4qp4 by Molmil
Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
Descriptor: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QPA
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BU of 4qpa by Molmil
Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP3
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BU of 4qp3 by Molmil
Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol
Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QAN
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BU of 4qan by Molmil
Crystal structure of a cystatin-like protein (RUMGNA_02398) from Ruminococcus gnavus ATCC 29149 at 2.10 A resolution
Descriptor: MAGNESIUM ION, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-05-05
Release date:2014-07-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a hypothetical protein (RUMGNA_02398) from Ruminococcus gnavus ATCC 29149 at 2.10 A resolution
To be published
4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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