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3R8V
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BU of 3r8v by Molmil
CDK2 in complex with inhibitor RC-1-135
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-24
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3I93
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BU of 3i93 by Molmil
Crystal structure of Mycobacterium tuberculosis dUTPase STOP138T mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Leveles, I, Harmat, V, Lopata, A, Toth, J, Vertessy, B.G.
Deposit date:2009-07-10
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct contacts between conserved motifs of different subunits provide major contribution to active site organization in human and mycobacterial dUTPases.
Febs Lett., 584, 2010
1AF7
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BU of 1af7 by Molmil
CHER FROM SALMONELLA TYPHIMURIUM
Descriptor: CHEMOTAXIS RECEPTOR METHYLTRANSFERASE CHER, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Djordjevic, S, Stock, A.M.
Deposit date:1997-03-22
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the chemotaxis receptor methyltransferase CheR suggests a conserved structural motif for binding S-adenosylmethionine.
Structure, 5, 1997
5EYG
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BU of 5eyg by Molmil
Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
Deposit date:2015-11-25
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
3O2N
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BU of 3o2n by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
Descriptor: 5,8-dimethoxy-4-methylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Sturdy, M.
Deposit date:2010-07-22
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
2X11
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BU of 2x11 by Molmil
Crystal structure of the complete EphA2 ectodomain in complex with ephrin A5 receptor binding domain
Descriptor: EPHRIN TYPE-A RECEPTOR 2, EPHRIN-A5
Authors:Seiradake, E, Harlos, K, Sutton, G, Aricescu, A.R, Jones, E.Y.
Deposit date:2009-12-21
Release date:2010-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.83 Å)
Cite:An Extracellular Steric Seeding Mechanism for Eph-Ephrin Signalling Platform Assembly
Nat.Struct.Mol.Biol., 17, 2010
4HOH
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BU of 4hoh by Molmil
RIBONUCLEASE T1 (THR93ALA MUTANT) COMPLEXED WITH 2'GMP
Descriptor: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1)
Authors:Langhorst, U, Loris, R, Denisov, V.P, Doumen, J, Roose, P, Maes, D, Halle, B, Steyaert, J.
Deposit date:1998-09-14
Release date:1998-09-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Dissection of the structural and functional role of a conserved hydration site in RNase T1.
Protein Sci., 8, 1999
3RK5
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BU of 3rk5 by Molmil
CDK2 in complex with inhibitor RC-2-72
Descriptor: 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-17
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
5T55
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BU of 5t55 by Molmil
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH GLOBOTETRAOSE
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2016-08-30
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
3RPR
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BU of 3rpr by Molmil
CDK2 in complex with inhibitor RC-2-49
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(phenylamino)-1,3-thiazol-5-yl][3-(trifluoromethyl)phenyl]methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-27
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
5T5L
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BU of 5t5l by Molmil
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2016-08-31
Release date:2016-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
3RPY
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BU of 3rpy by Molmil
CDK2 in complex with inhibitor RC-2-40
Descriptor: 4-amino-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-27
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
6E97
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BU of 6e97 by Molmil
Crystal structure of the aryl acid adenylating enzyme FscC from Fuscachelin NRPS in complex with DHB-adenylate
Descriptor: 2,3-dihydroxybenzoate-AMP ligase, 5'-O-[(S)-[(2,3-dihydroxybenzene-1-carbonyl)oxy](hydroxy)phosphoryl]adenosine, GLYCEROL, ...
Authors:Bruner, S.D, Zagulyaeva, A.A.
Deposit date:2018-07-31
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Implication of MbtH-like proteins in crystallization of the independent NRPS A domains. Crystal structure of FscC: supporting rationale for revised mechanism of freestanding aryl acid adenylating enzymes
To Be Published
5T52
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BU of 5t52 by Molmil
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH GALNAC
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2016-08-30
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
6YXE
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BU of 6yxe by Molmil
Structure of the Trim69 RING domain
Descriptor: E3 ubiquitin-protein ligase TRIM69, ZINC ION
Authors:Keown, J.R, Goldstone, D.C.
Deposit date:2020-05-01
Release date:2020-10-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The RING domain of TRIM69 promotes higher-order assembly.
Acta Crystallogr D Struct Biol, 76, 2020
5T5J
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BU of 5t5j by Molmil
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2016-08-31
Release date:2016-12-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
5T5P
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BU of 5t5p by Molmil
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2016-08-31
Release date:2016-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
3VUP
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BU of 3vup by Molmil
Beta-1,4-mannanase from the common sea hare Aplysia kurodai
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-mannanase, SULFATE ION
Authors:Mizutani, K, Tsuchiya, S, Toyoda, M, Nanbu, Y, Tominaga, K, Yuasa, K, Takahashi, N, Tsuji, A, Mikami, B.
Deposit date:2012-07-04
Release date:2012-10-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structure of beta-1,4-mannanase from the common sea hare Aplysia kurodai at 1.05 A resolution.
Acta Crystallogr.,Sect.F, 68, 2012
3R8Z
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BU of 3r8z by Molmil
CDK2 in complex with inhibitor RC-1-136
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-24
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RAK
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BU of 3rak by Molmil
CDK2 in complex with inhibitor RC-2-32
Descriptor: 4-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-28
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3RK9
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BU of 3rk9 by Molmil
CDK2 in complex with inhibitor RC-2-74
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-04-17
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
5T54
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BU of 5t54 by Molmil
LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH BLOOD GROUP A ANTIGEN
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Lectin, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2016-08-30
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth.
FEBS J., 284, 2017
6E8O
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BU of 6e8o by Molmil
Crystal structure of aryl acid adenylating enzyme FscC from Fuscachelin NRPS in complex with AMP
Descriptor: 2,3-dihydroxybenzoate-AMP ligase, ADENOSINE MONOPHOSPHATE, GLYCEROL, ...
Authors:Bruner, S.D, Zagulyaeva, A.A.
Deposit date:2018-07-30
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Implication of MbtH-like proteins in crystallization of the independent NRPS A domains. Crystal structure of FscC: supporting rationale for revised mechanism of freestanding aryl acid adenylating enzymes
To Be Published
1A7D
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BU of 1a7d by Molmil
CHLOROMET MYOHEMERYTHRIN FROM THEMISTE ZOSTERICOLA
Descriptor: CHLORIDE ION, CHLORO DIIRON-OXO MOIETY, MYOHEMERYTHRIN
Authors:Martins, L.J, Hill, C.P, Ellis Junior, W.R.
Deposit date:1998-03-12
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of wild-type chloromet and L103N hydroxomet Themiste zostericola myohemerythrins at 1.8 A resolution.
Biochemistry, 36, 1997
7LLF
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BU of 7llf by Molmil
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-83
Descriptor: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide, BORIC ACID, GLYCEROL, ...
Authors:Ratia, K.M, Xiong, R, Thatcher, G.R.
Deposit date:2021-02-03
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent, Novel SARS-CoV-2 PLpro Inhibitors Block Viral Replication in Monkey and Human Cell Cultures.
Biorxiv, 2021

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