6MLL
 
 | | Crystal structure of KPC-2 with compound 7 | | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-27 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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4KCP
 | | Structure of bovine endotheial nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2013-04-24 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
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4JYT
 | | Crystal Structure of Matriptase in complex with Inhibitor | | Descriptor: | 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | | Authors: | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | | Deposit date: | 2013-04-01 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
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4JZ1
 | | Crystal Structure of Matriptase in complex with Inhibitor | | Descriptor: | 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein | | Authors: | Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | | Deposit date: | 2013-04-02 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
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4JZI
 | | Crystal Structure of Matriptase in complex with Inhibitor". | | Descriptor: | N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein | | Authors: | Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S. | | Deposit date: | 2013-04-03 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
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6SO2
 | | Fragment N13460a in complex with MAP kinase p38-alpha | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-08-28 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6SPL
 | | Fragment KCL615 in complex with MAP kinase p38-alpha | | Descriptor: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-09-01 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6MSJ
 | | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | Authors: | Mao, Y.D. | | Deposit date: | 2018-10-16 | | Release date: | 2018-11-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
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6MSK
 | | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | Authors: | Mao, Y.D. | | Deposit date: | 2018-10-16 | | Release date: | 2018-11-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
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6N4T
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6MSH
 | | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | Authors: | Mao, Y.D. | | Deposit date: | 2018-10-16 | | Release date: | 2018-11-21 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
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2C8T
 | | The 3.0 A Resolution Structure of Caseinolytic Clp Protease 1 from Mycobacterium tuberculosis | | Descriptor: | ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 | | Authors: | Ingvarsson, H, Hogbom, M, Jones, T.A, Unge, T. | | Deposit date: | 2005-12-07 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Insights Into the Inter-Ring Plasticity of Caseinolytic Proteases from the X-Ray Structure of Mycobacterium Tuberculosis Clpp1.
Acta Crystallogr.,Sect.D, 63, 2007
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1SKV
 | | Crystal Structure of D-63 from Sulfolobus Spindle Virus 1 | | Descriptor: | Hypothetical 7.5 kDa protein | | Authors: | Kraft, P, Kummel, D, Oeckinghaus, A, Gauss, G.H, Wiedenheft, B, Young, M, Lawrence, C.M. | | Deposit date: | 2004-03-05 | | Release date: | 2004-07-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of d-63 from sulfolobus spindle-shaped virus 1: surface properties of the dimeric four-helix bundle suggest an adaptor protein function
J.Virol., 78, 2004
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1QKL
 | | hRPABC14.4, essential subunit of human RNA polymerases I, II and III | | Descriptor: | DNA-DIRECTED RNA POLYMERASE II 14.4 KD POLYPEPTIDE | | Authors: | Del Rio-Portilla, F, Gaskell, A.G, Gilbert, D, Ladias, J.A.A, Wagner, G. | | Deposit date: | 1999-07-26 | | Release date: | 1999-11-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Hrpabc14.4 Subunit of Human RNA Polymerases
Nat.Struct.Biol., 6, 1999
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4KCR
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-(((3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-04-24 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
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6NBY
 | | T.elongatus NDH (composite model) | | Descriptor: | IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 1, ... | | Authors: | Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M. | | Deposit date: | 2018-12-10 | | Release date: | 2019-02-27 | | Last modified: | 2020-04-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019
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1ZHL
 | | Crystal structure of HLA-B*3508 presenting 13-mer EBV antigen LPEPLPQGQLTAY | | Descriptor: | Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ... | | Authors: | Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J. | | Deposit date: | 2005-04-26 | | Release date: | 2005-05-17 | | Last modified: | 2014-04-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance
J.Biol.Chem., 280, 2005
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6NBQ
 | | T.elongatus NDH (data-set 1) | | Descriptor: | IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 2, ... | | Authors: | Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M. | | Deposit date: | 2018-12-09 | | Release date: | 2019-02-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019
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4I8V
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2AO6
 | | Crystal structure of the human androgen receptor ligand binding domain bound with TIF2(iii) 740-753 peptide and R1881 | | Descriptor: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, 14-mer fragment of Nuclear receptor coactivator 2, androgen receptor | | Authors: | He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M. | | Deposit date: | 2005-08-12 | | Release date: | 2005-08-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance
Mol.Cell, 16, 2004
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4HW9
 | | Crystal Structure of Helicobacter pylori MscS (Closed State) | | Descriptor: | Mechanosensitive channel MscS | | Authors: | Lai, J.Y, Poon, Y.S, Kaiser, J, Rees, D.C. | | Deposit date: | 2012-11-07 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.14 Å) | | Cite: | Open and shut: crystal structures of the dodecylmaltoside solubilized mechanosensitive channel of small conductance from Escherichia coli and Helicobacter pylori at 4.4 angstrom and 4.1 angstrom resolutions.
Protein Sci., 22, 2013
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1P3H
 | | Crystal Structure of the Mycobacterium tuberculosis chaperonin 10 tetradecamer | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 10 kDa chaperonin, CALCIUM ION | | Authors: | Roberts, M.M, Coker, A.R, Fossati, G, Mascagni, P, Coates, A.R.M, Wood, S.P, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-04-17 | | Release date: | 2003-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mycobacterium tuberculosis chaperonin 10 heptamers self-associate through their biologically active loops
J.BACTERIOL., 185, 2003
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2DKI
 | | Crystal structure of 3-hydroxybenzoate hydroxylase from Comamonas testosteroni, under pressure of xenon gas (12 atm) | | Descriptor: | 3-HYDROXYBENZOATE HYDROXYLASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Hiromoto, T, Fujiwara, S, Hosokawa, K, Yamaguchi, H. | | Deposit date: | 2006-04-11 | | Release date: | 2006-10-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of 3-hydroxybenzoate hydroxylase from Comamonas testosteroni has a large tunnel for substrate and oxygen access to the active site
J.Mol.Biol., 364, 2006
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3KBT
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3KBU
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